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

C21H26N4O2 — CID 121279669

IUPAC1-phenyl-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(c4ccccc4)CC3)C2)n[nH]1
InChIInChI=1S/C21H26N4O2/c1-14(2)17-12-18(24-23-17)19(26)25-11-8-16(13-25)22-20(27)21(9-10-21)15-6-4-3-5-7-15/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyLYIWSFPIVSSXLR-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.60
Rot. Bonds5

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

1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 121279669) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID121279669
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-phenyl-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(c4ccccc4)CC3)C2)n[nH]1
InChIInChI=1S/C21H26N4O2/c1-14(2)17-12-18(24-23-17)19(26)25-11-8-16(13-25)22-20(27)21(9-10-21)15-6-4-3-5-7-15/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyLYIWSFPIVSSXLR-UHFFFAOYSA-N
XLogP2.60
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 121279669) is 1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-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(c4ccccc4)CC3)C2)n[nH]1.
What is the InChIKey of 1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is LYIWSFPIVSSXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(2)17-12-18(24-23-17)19(26)25-11-8-16(13-25)22-20(27)21(9-10-21)15-6-4-3-5-7-15/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 121279669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).