2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

C8H11N3O — CID 43429484

IUPAC2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H11N3O/c1-5-2-7(5)8(12)11-6-3-9-10-4-6/h3-5,7H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyDMDGHJKKTPAYSY-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.00
Rot. Bonds2

About 2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 43429484) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID43429484
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H11N3O/c1-5-2-7(5)8(12)11-6-3-9-10-4-6/h3-5,7H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyDMDGHJKKTPAYSY-UHFFFAOYSA-N
XLogP1.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 43429484) is 2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is DMDGHJKKTPAYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-2-7(5)8(12)11-6-3-9-10-4-6/h3-5,7H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 165.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 43429484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).