3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide

C13H17N5O — CID 122559752

IUPAC3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCC1(Cn2cccn2)CC1
InChIInChI=1S/C13H17N5O/c1-17-10-14-7-11(17)12(19)15-8-13(3-4-13)9-18-6-2-5-16-18/h2,5-7,10H,3-4,8-9H2,1H3,(H,15,19)
InChIKeyBYSNBQGDXVZCPE-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.83
Rot. Bonds5

About 3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide

3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide (PubChem CID 122559752) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide
PubChem CID122559752
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCC1(Cn2cccn2)CC1
InChIInChI=1S/C13H17N5O/c1-17-10-14-7-11(17)12(19)15-8-13(3-4-13)9-18-6-2-5-16-18/h2,5-7,10H,3-4,8-9H2,1H3,(H,15,19)
InChIKeyBYSNBQGDXVZCPE-UHFFFAOYSA-N
XLogP0.83
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-((1-(cyclopropylmethyl)cyclobutyl)methyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H-imidazole-4-carboxamide
CID 53326774
N-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 97467591
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
CID 70717321
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 91923147
1-cyclopropyl-N-{1-[1-(pyrimidin-2-yl)ethyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide
CID 132219977
1-(2-aminoethyl)-N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70733623
N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-1-methyl-1H-pyrazole-5-carboxamide
CID 91911718
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
CID 91923839
N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-ethyl-1H-pyrazole-5-carboxamide
CID 91923840
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 124039605
N~1~-[2-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)ethyl]-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 124048732
N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 53523132

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide (CID 122559752) is 3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide is Cn1cncc1C(=O)NCC1(Cn2cccn2)CC1.
What is the InChIKey of 3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide?
The InChIKey is BYSNBQGDXVZCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-10-14-7-11(17)12(19)15-8-13(3-4-13)9-18-6-2-5-16-18/h2,5-7,10H,3-4,8-9H2,1H3,(H,15,19).
What are the key properties of 3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide?
3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 122559752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).