N-cyclopropyl-2-methylpyrazole-3-carboxamide

C8H11N3O — CID 19475563

IUPACN-cyclopropyl-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CC1
InChIInChI=1S/C8H11N3O/c1-11-7(4-5-9-11)8(12)10-6-2-3-6/h4-6H,2-3H2,1H3,(H,10,12)
InChIKeyXMUNVFBCRWEKHW-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.31
Rot. Bonds2

About N-cyclopropyl-2-methylpyrazole-3-carboxamide

N-cyclopropyl-2-methylpyrazole-3-carboxamide (PubChem CID 19475563) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-cyclopropyl-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methylpyrazole-3-carboxamide
PubChem CID19475563
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-cyclopropyl-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CC1
InChIInChI=1S/C8H11N3O/c1-11-7(4-5-9-11)8(12)10-6-2-3-6/h4-6H,2-3H2,1H3,(H,10,12)
InChIKeyXMUNVFBCRWEKHW-UHFFFAOYSA-N
XLogP0.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-methylpyrazole-3-carboxamide (CID 19475563) is N-cyclopropyl-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methylpyrazole-3-carboxamide?
The InChIKey is XMUNVFBCRWEKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-7(4-5-9-11)8(12)10-6-2-3-6/h4-6H,2-3H2,1H3,(H,10,12).
What are the key properties of N-cyclopropyl-2-methylpyrazole-3-carboxamide?
N-cyclopropyl-2-methylpyrazole-3-carboxamide has a molecular weight of 165.20 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19475563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).