N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

C23H30N4O2 — CID 121279561

IUPACN-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCC(CCCc1ccccc1)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1
InChIInChI=1S/C23H30N4O2/c1-16(6-5-9-17-7-3-2-4-8-17)20-14-21(26-25-20)23(29)27-13-12-19(15-27)24-22(28)18-10-11-18/h2-4,7-8,14,16,18-19H,5-6,9-13,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyXRCCYPSLTYKAIY-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.28
Rot. Bonds8

About N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 121279561) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID121279561
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCC(CCCc1ccccc1)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1
InChIInChI=1S/C23H30N4O2/c1-16(6-5-9-17-7-3-2-4-8-17)20-14-21(26-25-20)23(29)27-13-12-19(15-27)24-22(28)18-10-11-18/h2-4,7-8,14,16,18-19H,5-6,9-13,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyXRCCYPSLTYKAIY-UHFFFAOYSA-N
XLogP3.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 121279561) is N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is CC(CCCc1ccccc1)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1.
What is the InChIKey of N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is XRCCYPSLTYKAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16(6-5-9-17-7-3-2-4-8-17)20-14-21(26-25-20)23(29)27-13-12-19(15-27)24-22(28)18-10-11-18/h2-4,7-8,14,16,18-19H,5-6,9-13,15H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(5-phenylpentan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121279561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).