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

C15H22N4O3 — CID 121279614

IUPAC1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3(O)CC3)C2)n[nH]1
InChIInChI=1S/C15H22N4O3/c1-9(2)11-7-12(18-17-11)13(20)19-6-3-10(8-19)16-14(21)15(22)4-5-15/h7,9-10,22H,3-6,8H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyNVMNMIHRQZBQPG-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.39
Rot. Bonds4

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

1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 121279614) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID121279614
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3(O)CC3)C2)n[nH]1
InChIInChI=1S/C15H22N4O3/c1-9(2)11-7-12(18-17-11)13(20)19-6-3-10(8-19)16-14(21)15(22)4-5-15/h7,9-10,22H,3-6,8H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyNVMNMIHRQZBQPG-UHFFFAOYSA-N
XLogP0.39
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 121279614) is 1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-hydroxy-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)C3(O)CC3)C2)n[nH]1.
What is the InChIKey of 1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is NVMNMIHRQZBQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(2)11-7-12(18-17-11)13(20)19-6-3-10(8-19)16-14(21)15(22)4-5-15/h7,9-10,22H,3-6,8H2,1-2H3,(H,16,21)(H,17,18).
What are the key properties of 1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 121279614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).