5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide

C8H13N3O — CID 53017378

IUPAC5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C)n[nH]1
InChIInChI=1S/C8H13N3O/c1-5(2)9-8(12)7-4-6(3)10-11-7/h4-5H,1-3H3,(H,9,12)(H,10,11)
InChIKeyGSIWTWBCUDSKAE-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.86
Rot. Bonds2

About 5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide

5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 53017378) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID53017378
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C)n[nH]1
InChIInChI=1S/C8H13N3O/c1-5(2)9-8(12)7-4-6(3)10-11-7/h4-5H,1-3H3,(H,9,12)(H,10,11)
InChIKeyGSIWTWBCUDSKAE-UHFFFAOYSA-N
XLogP0.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide (CID 53017378) is 5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)C)n[nH]1.
What is the InChIKey of 5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GSIWTWBCUDSKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)9-8(12)7-4-6(3)10-11-7/h4-5H,1-3H3,(H,9,12)(H,10,11).
What are the key properties of 5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide?
5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 53017378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).