N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide

C24H26ClN3O4 — CID 122598486

IUPACN-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(O)c(Cl)c2)C(=O)c2cc(C3CC3)nn2C)c(OC)c1
InChIInChI=1S/C24H26ClN3O4/c1-27-21(12-20(26-27)16-5-6-16)24(30)28(13-15-4-9-22(29)19(25)10-15)14-17-7-8-18(31-2)11-23(17)32-3/h4,7-12,16,29H,5-6,13-14H2,1-3H3
InChIKeyJVQYTXKSFSFBQP-UHFFFAOYSA-N
MW455.94 g/mol
LogP4.52
Rot. Bonds8

About N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide

N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 122598486) has the molecular formula C24H26ClN3O4 and a molecular weight of 455.94 g/mol. Its IUPAC name is N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
PubChem CID122598486
Molecular FormulaC24H26ClN3O4
Molecular Weight455.94 g/mol
Exact Mass455.16
IUPAC NameN-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(O)c(Cl)c2)C(=O)c2cc(C3CC3)nn2C)c(OC)c1
InChIInChI=1S/C24H26ClN3O4/c1-27-21(12-20(26-27)16-5-6-16)24(30)28(13-15-4-9-22(29)19(25)10-15)14-17-7-8-18(31-2)11-23(17)32-3/h4,7-12,16,29H,5-6,13-14H2,1-3H3
InChIKeyJVQYTXKSFSFBQP-UHFFFAOYSA-N
XLogP4.52
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 122598450
3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 122598513
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 122598595
3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine
CID 158219506
N-[(2,4-dimethoxyphenyl)methyl]-N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 122598460
3-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 122598551
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 26330353
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 71796642
4-[[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]carbamoyl]amino]methyl]benzoic acid
CID 122020500

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide (CID 122598486) is N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide is COc1ccc(CN(Cc2ccc(O)c(Cl)c2)C(=O)c2cc(C3CC3)nn2C)c(OC)c1.
What is the InChIKey of N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is JVQYTXKSFSFBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4/c1-27-21(12-20(26-27)16-5-6-16)24(30)28(13-15-4-9-22(29)19(25)10-15)14-17-7-8-18(31-2)11-23(17)32-3/h4,7-12,16,29H,5-6,13-14H2,1-3H3.
What are the key properties of N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 455.94 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122598486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).