3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide

C18H20ClN5O2 — CID 19544076

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
SMILESCOc1cccc(Cn2cc(NC(=O)CCn3cc(Cl)c(C)n3)cn2)c1
InChIInChI=1S/C18H20ClN5O2/c1-13-17(19)12-23(22-13)7-6-18(25)21-15-9-20-24(11-15)10-14-4-3-5-16(8-14)26-2/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,21,25)
InChIKeyLXKWDEHFKDYMMD-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.13
Rot. Bonds7

About 3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide

3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19544076) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID19544076
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
SMILESCOc1cccc(Cn2cc(NC(=O)CCn3cc(Cl)c(C)n3)cn2)c1
InChIInChI=1S/C18H20ClN5O2/c1-13-17(19)12-23(22-13)7-6-18(25)21-15-9-20-24(11-15)10-14-4-3-5-16(8-14)26-2/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,21,25)
InChIKeyLXKWDEHFKDYMMD-UHFFFAOYSA-N
XLogP3.13
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19544108
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565937
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19554225
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541833
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
1-(3-chloro-4-methylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea
CID 2956043
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19539568
4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496247

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide (CID 19544076) is 3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide is COc1cccc(Cn2cc(NC(=O)CCn3cc(Cl)c(C)n3)cn2)c1.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is LXKWDEHFKDYMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-13-17(19)12-23(22-13)7-6-18(25)21-15-9-20-24(11-15)10-14-4-3-5-16(8-14)26-2/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,21,25).
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide?
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 373.84 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19544076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).