N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

C15H23N5O — CID 70716625

IUPACN-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C15H23N5O/c1-10(2)20-8-13(7-16-20)15(21)18(5)9-14-11(3)17-19(6)12(14)4/h7-8,10H,9H2,1-6H3
InChIKeyCXANZYWTROLPRH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.09
Rot. Bonds4

About N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 70716625) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID70716625
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C15H23N5O/c1-10(2)20-8-13(7-16-20)15(21)18(5)9-14-11(3)17-19(6)12(14)4/h7-8,10H,9H2,1-6H3
InChIKeyCXANZYWTROLPRH-UHFFFAOYSA-N
XLogP2.09
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485845
1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19623887
4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19277979
4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19478610
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
4-(2-hydroxy-5-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 122567311
2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 46983799
1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 71688277
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 70715084
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 56897241
1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 119067480

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (CID 70716625) is N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is CXANZYWTROLPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10(2)20-8-13(7-16-20)15(21)18(5)9-14-11(3)17-19(6)12(14)4/h7-8,10H,9H2,1-6H3.
What are the key properties of N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 70716625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).