N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

C17H21FN4O — CID 59173796

IUPACN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C17H21FN4O/c18-14-7-5-13(6-8-14)15-12-16(21-20-15)19-17(23)4-3-11-22-9-1-2-10-22/h5-8,12H,1-4,9-11H2,(H2,19,20,21,23)
InChIKeySTILSKQSCCXQQD-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.03
Rot. Bonds6

About N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 59173796) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID59173796
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C17H21FN4O/c18-14-7-5-13(6-8-14)15-12-16(21-20-15)19-17(23)4-3-11-22-9-1-2-10-22/h5-8,12H,1-4,9-11H2,(H2,19,20,21,23)
InChIKeySTILSKQSCCXQQD-UHFFFAOYSA-N
XLogP3.03
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-1-ethylpiperidine-4-carboxamide
CID 6539563
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330943
Pha-533533
CID 5330949
3-Aminopyrazole deriv. 15
CID 5330951
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 5330952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
CID 5330953
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
CID 5330969
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-fluorophenyl)phenyl]acetamide
CID 5331004
4-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
CID 6539554
N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-2-phenylacetamide
CID 9857034

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 59173796) is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is O=C(CCCN1CCCC1)Nc1cc(-c2ccc(F)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is STILSKQSCCXQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-14-7-5-13(6-8-14)15-12-16(21-20-15)19-17(23)4-3-11-22-9-1-2-10-22/h5-8,12H,1-4,9-11H2,(H2,19,20,21,23).
What are the key properties of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 316.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 59173796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).