N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

C13H16N6O — CID 19557634

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2c(C#N)cnn2C)n1
InChIInChI=1S/C13H16N6O/c1-9-6-10(2)19(17-9)5-4-12(20)16-13-11(7-14)8-15-18(13)3/h6,8H,4-5H2,1-3H3,(H,16,20)
InChIKeyMKTQQLLDSDPVHB-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.13
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 19557634) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID19557634
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2c(C#N)cnn2C)n1
InChIInChI=1S/C13H16N6O/c1-9-6-10(2)19(17-9)5-4-12(20)16-13-11(7-14)8-15-18(13)3/h6,8H,4-5H2,1-3H3,(H,16,20)
InChIKeyMKTQQLLDSDPVHB-UHFFFAOYSA-N
XLogP1.13
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530683
N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908
N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide
CID 108760008
1-tert-butyl-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79504321
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 19517631
N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
CID 112723814

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 19557634) is N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2c(C#N)cnn2C)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is MKTQQLLDSDPVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-6-10(2)19(17-9)5-4-12(20)16-13-11(7-14)8-15-18(13)3/h6,8H,4-5H2,1-3H3,(H,16,20).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 272.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19557634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).