N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide

C9H13N3O — CID 148628275

IUPACN-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide
SMILESCc1cc(CNC(=O)C2CC2)n[nH]1
InChIInChI=1S/C9H13N3O/c1-6-4-8(12-11-6)5-10-9(13)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyNHQNCXSKQBGCJT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.74
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide

N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide (PubChem CID 148628275) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide
PubChem CID148628275
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide
SMILESCc1cc(CNC(=O)C2CC2)n[nH]1
InChIInChI=1S/C9H13N3O/c1-6-4-8(12-11-6)5-10-9(13)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyNHQNCXSKQBGCJT-UHFFFAOYSA-N
XLogP0.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide (CID 148628275) is N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide is Cc1cc(CNC(=O)C2CC2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide?
The InChIKey is NHQNCXSKQBGCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-8(12-11-6)5-10-9(13)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide?
N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 148628275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).