N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C12H17N5O — CID 113341286

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C12H17N5O/c1-7-11(8(2)16-15-7)12(18)13-5-10-6-14-17(4)9(10)3/h6H,5H2,1-4H3,(H,13,18)(H,15,16)
InChIKeyGPIQYEPPMIVLLQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.00
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 113341286) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID113341286
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C12H17N5O/c1-7-11(8(2)16-15-7)12(18)13-5-10-6-14-17(4)9(10)3/h6H,5H2,1-4H3,(H,13,18)(H,15,16)
InChIKeyGPIQYEPPMIVLLQ-UHFFFAOYSA-N
XLogP1.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 113442300
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126835562
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
CID 106033595
1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19268483
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106040133
4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 3398298

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 113341286) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is GPIQYEPPMIVLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7-11(8(2)16-15-7)12(18)13-5-10-6-14-17(4)9(10)3/h6H,5H2,1-4H3,(H,13,18)(H,15,16).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113341286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).