N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide

C15H17N3O — CID 63999824

IUPACN-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C15H17N3O/c1-11-14(9-16-17-11)15(19)18(13-7-8-13)10-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,16,17)
InChIKeyYMGYLYGECUXERC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.52
Rot. Bonds4

About N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide

N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 63999824) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID63999824
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C15H17N3O/c1-11-14(9-16-17-11)15(19)18(13-7-8-13)10-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,16,17)
InChIKeyYMGYLYGECUXERC-UHFFFAOYSA-N
XLogP2.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63998851
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CID 63999032
N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide
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N-benzyl-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 31844923
N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017
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CID 112829125
4-amino-N-benzyl-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081458
N-[1-[2-[(1S,2S)-2-benzylcyclopropyl]acetyl]azetidin-3-yl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 167972286
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide
CID 81499537
N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide
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N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide
CID 103874221

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide (CID 63999824) is N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is YMGYLYGECUXERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-14(9-16-17-11)15(19)18(13-7-8-13)10-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,16,17).
What are the key properties of N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63999824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).