N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide

C19H23N7O2 — CID 136533988

IUPACN-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
SMILESCN(C)C(=O)Nc1cccc(CNC(=O)c2cn(C)nc2-c2cnn(C)c2)c1
InChIInChI=1S/C19H23N7O2/c1-24(2)19(28)22-15-7-5-6-13(8-15)9-20-18(27)16-12-26(4)23-17(16)14-10-21-25(3)11-14/h5-8,10-12H,9H2,1-4H3,(H,20,27)(H,22,28)
InChIKeyYBZMHPDTWJFWKE-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.84
Rot. Bonds5

About N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide

N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide (PubChem CID 136533988) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
PubChem CID136533988
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
SMILESCN(C)C(=O)Nc1cccc(CNC(=O)c2cn(C)nc2-c2cnn(C)c2)c1
InChIInChI=1S/C19H23N7O2/c1-24(2)19(28)22-15-7-5-6-13(8-15)9-20-18(27)16-12-26(4)23-17(16)14-10-21-25(3)11-14/h5-8,10-12H,9H2,1-4H3,(H,20,27)(H,22,28)
InChIKeyYBZMHPDTWJFWKE-UHFFFAOYSA-N
XLogP1.84
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-chloro-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-4-fluorobenzamide
CID 167895809
N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 154744015
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822057
N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54358571
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110480964
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474875
N-[[3-(bromomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811324
1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 34595492
5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
CID 25225135
(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide
CID 75407731

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide (CID 136533988) is N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide is CN(C)C(=O)Nc1cccc(CNC(=O)c2cn(C)nc2-c2cnn(C)c2)c1.
What is the InChIKey of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The InChIKey is YBZMHPDTWJFWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-24(2)19(28)22-15-7-5-6-13(8-15)9-20-18(27)16-12-26(4)23-17(16)14-10-21-25(3)11-14/h5-8,10-12H,9H2,1-4H3,(H,20,27)(H,22,28).
What are the key properties of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 136533988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).