4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide

C13H22N4O — CID 79354725

IUPAC4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2C(C)(C)C2(C)C)c1N
InChIInChI=1S/C13H22N4O/c1-7-9(14)10(17-16-7)11(18)15-6-8-12(2,3)13(8,4)5/h8H,6,14H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyLSKQLPFSHYSQKS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.71
Rot. Bonds3

About 4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 79354725) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID79354725
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2C(C)(C)C2(C)C)c1N
InChIInChI=1S/C13H22N4O/c1-7-9(14)10(17-16-7)11(18)15-6-8-12(2,3)13(8,4)5/h8H,6,14H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyLSKQLPFSHYSQKS-UHFFFAOYSA-N
XLogP1.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62082092
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 55033895
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
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CID 62080909
4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 65103807
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980
4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide
CID 115563988
4-amino-5-methyl-N-(4-methylpentyl)-1H-pyrazole-3-carboxamide
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4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62083205
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 63687345
4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64570786

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide (CID 79354725) is 4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC2C(C)(C)C2(C)C)c1N.
What is the InChIKey of 4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is LSKQLPFSHYSQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-7-9(14)10(17-16-7)11(18)15-6-8-12(2,3)13(8,4)5/h8H,6,14H2,1-5H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 79354725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).