N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C17H24N4O2 — CID 121279627

IUPACN-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(C3CCCC3)[nH]n2)C1)C1CC1
InChIInChI=1S/C17H24N4O2/c22-16(12-5-6-12)18-13-7-8-21(10-13)17(23)15-9-14(19-20-15)11-3-1-2-4-11/h9,11-13H,1-8,10H2,(H,18,22)(H,19,20)
InChIKeyQQQAUXOXMVSETO-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.81
Rot. Bonds4

About N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 121279627) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID121279627
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(C3CCCC3)[nH]n2)C1)C1CC1
InChIInChI=1S/C17H24N4O2/c22-16(12-5-6-12)18-13-7-8-21(10-13)17(23)15-9-14(19-20-15)11-3-1-2-4-11/h9,11-13H,1-8,10H2,(H,18,22)(H,19,20)
InChIKeyQQQAUXOXMVSETO-UHFFFAOYSA-N
XLogP1.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
US10022354, Example 27
CID 121279544
5-cyclohexyl-N-(6-sulfanylhexyl)-1H-pyrazole-3-carboxamide
CID 127027021
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 N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 121279627) is N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)c2cc(C3CCCC3)[nH]n2)C1)C1CC1.
What is the InChIKey of N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is QQQAUXOXMVSETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(12-5-6-12)18-13-7-8-21(10-13)17(23)15-9-14(19-20-15)11-3-1-2-4-11/h9,11-13H,1-8,10H2,(H,18,22)(H,19,20).
What are the key properties of N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopentyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121279627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).