N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide

C17H22FN5O — CID 59333100

IUPACN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide
SMILESCC(CCN1CCCC1)C(=O)Nc1cc(-c2cncc(F)c2)[nH]n1
InChIInChI=1S/C17H22FN5O/c1-12(4-7-23-5-2-3-6-23)17(24)20-16-9-15(21-22-16)13-8-14(18)11-19-10-13/h8-12H,2-7H2,1H3,(H2,20,21,22,24)
InChIKeyWQNITZSJMCWRQD-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.67
Rot. Bonds6

About N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide

N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide (PubChem CID 59333100) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide
PubChem CID59333100
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC NameN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide
SMILESCC(CCN1CCCC1)C(=O)Nc1cc(-c2cncc(F)c2)[nH]n1
InChIInChI=1S/C17H22FN5O/c1-12(4-7-23-5-2-3-6-23)17(24)20-16-9-15(21-22-16)13-8-14(18)11-19-10-13/h8-12H,2-7H2,1H3,(H2,20,21,22,24)
InChIKeyWQNITZSJMCWRQD-UHFFFAOYSA-N
XLogP2.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide (CID 59333100) is N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide is CC(CCN1CCCC1)C(=O)Nc1cc(-c2cncc(F)c2)[nH]n1.
What is the InChIKey of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide?
The InChIKey is WQNITZSJMCWRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-12(4-7-23-5-2-3-6-23)17(24)20-16-9-15(21-22-16)13-8-14(18)11-19-10-13/h8-12H,2-7H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide?
N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide has a molecular weight of 331.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 59333100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).