1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide

C13H18N4O — CID 47404882

IUPAC1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)n1C
InChIInChI=1S/C13H18N4O/c1-8(2)10-7-12(16-15-10)14-13(18)11-6-5-9(3)17(11)4/h5-8H,1-4H3,(H2,14,15,16,18)
InChIKeyMLQJAVICIYWVBC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.43
Rot. Bonds3

About 1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide

1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide (PubChem CID 47404882) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
PubChem CID47404882
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)n1C
InChIInChI=1S/C13H18N4O/c1-8(2)10-7-12(16-15-10)14-13(18)11-6-5-9(3)17(11)4/h5-8H,1-4H3,(H2,14,15,16,18)
InChIKeyMLQJAVICIYWVBC-UHFFFAOYSA-N
XLogP2.43
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide (CID 47404882) is 1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)n1C.
What is the InChIKey of 1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The InChIKey is MLQJAVICIYWVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)10-7-12(16-15-10)14-13(18)11-6-5-9(3)17(11)4/h5-8H,1-4H3,(H2,14,15,16,18).
What are the key properties of 1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 47404882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).