N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide

C18H22FN3O — CID 46963776

IUPACN-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC2(c3cccc(F)c3)CCCC2)n[nH]1
InChIInChI=1S/C18H22FN3O/c1-2-6-15-12-16(22-21-15)17(23)20-18(9-3-4-10-18)13-7-5-8-14(19)11-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyMMRGVWUZGLDEKX-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.70
Rot. Bonds5

About N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 46963776) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID46963776
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC2(c3cccc(F)c3)CCCC2)n[nH]1
InChIInChI=1S/C18H22FN3O/c1-2-6-15-12-16(22-21-15)17(23)20-18(9-3-4-10-18)13-7-5-8-14(19)11-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyMMRGVWUZGLDEKX-UHFFFAOYSA-N
XLogP3.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 46963776) is N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC2(c3cccc(F)c3)CCCC2)n[nH]1.
What is the InChIKey of N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is MMRGVWUZGLDEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-2-6-15-12-16(22-21-15)17(23)20-18(9-3-4-10-18)13-7-5-8-14(19)11-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46963776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).