2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

C16H24N4O2 — CID 121279747

IUPAC2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CC3C)C2)n[nH]1
InChIInChI=1S/C16H24N4O2/c1-9(2)13-7-14(19-18-13)16(22)20-5-4-11(8-20)17-15(21)12-6-10(12)3/h7,9-12H,4-6,8H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyULLBNYVWXFJISI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.52
Rot. Bonds4

About 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 121279747) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID121279747
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CC3C)C2)n[nH]1
InChIInChI=1S/C16H24N4O2/c1-9(2)13-7-14(19-18-13)16(22)20-5-4-11(8-20)17-15(21)12-6-10(12)3/h7,9-12H,4-6,8H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyULLBNYVWXFJISI-UHFFFAOYSA-N
XLogP1.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

Kdm5A-IN-1
CID 119081409
US10022354, Example 152
CID 121279737
N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
US10022354, Example 123
CID 121279532
US10022354, Example 183
CID 121279732
US10022354, Example 168
CID 132070206
5-methyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 852807
US10022354, Example 27
CID 121279544
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 137638363
US10022354, Example 231
CID 121279598
US10022354, Example 172
CID 121279599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 121279747) is 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CC3C)C2)n[nH]1.
What is the InChIKey of 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is ULLBNYVWXFJISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-9(2)13-7-14(19-18-13)16(22)20-5-4-11(8-20)17-15(21)12-6-10(12)3/h7,9-12H,4-6,8H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 121279747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).