N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide

C12H16N4O — CID 113342821

IUPACN-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1cccn1C(C)C
InChIInChI=1S/C12H16N4O/c1-8(2)16-6-4-5-10(16)12(17)14-11-9(3)7-13-15-11/h4-8H,1-3H3,(H2,13,14,15,17)
InChIKeyMQFCVCTZHLVGRJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.35
Rot. Bonds3

About N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide

N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 113342821) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID113342821
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1cccn1C(C)C
InChIInChI=1S/C12H16N4O/c1-8(2)16-6-4-5-10(16)12(17)14-11-9(3)7-13-15-11/h4-8H,1-3H3,(H2,13,14,15,17)
InChIKeyMQFCVCTZHLVGRJ-UHFFFAOYSA-N
XLogP2.35
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 113342821) is N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1cn[nH]c1NC(=O)c1cccn1C(C)C.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is MQFCVCTZHLVGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)16-6-4-5-10(16)12(17)14-11-9(3)7-13-15-11/h4-8H,1-3H3,(H2,13,14,15,17).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 113342821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).