2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide

C15H17N3O — CID 110467135

IUPAC2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C15H17N3O/c1-18-13(7-10-17-18)14(19)16-11-15(8-9-15)12-5-3-2-4-6-12/h2-7,10H,8-9,11H2,1H3,(H,16,19)
InChIKeyDQVZZZDXNVJXAP-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.88
Rot. Bonds4

About 2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide

2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide (PubChem CID 110467135) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
PubChem CID110467135
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C15H17N3O/c1-18-13(7-10-17-18)14(19)16-11-15(8-9-15)12-5-3-2-4-6-12/h2-7,10H,8-9,11H2,1H3,(H,16,19)
InChIKeyDQVZZZDXNVJXAP-UHFFFAOYSA-N
XLogP1.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 136533373
2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide
CID 131934351
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 56813252
3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
CID 42145677
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
CID 166874447
N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide
CID 110467968
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183164
5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
CID 24652393
3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide (CID 110467135) is 2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide?
The InChIKey is DQVZZZDXNVJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18-13(7-10-17-18)14(19)16-11-15(8-9-15)12-5-3-2-4-6-12/h2-7,10H,8-9,11H2,1H3,(H,16,19).
What are the key properties of 2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide?
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110467135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).