[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

C15H17FN4O — CID 119483328

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESNCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C15H17FN4O/c16-12-3-1-11(2-4-12)13-7-14(19-18-13)15(21)20-6-5-10(8-17)9-20/h1-4,7,10H,5-6,8-9,17H2,(H,18,19)
InChIKeyWTCONIPVNDSPNF-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.64
Rot. Bonds3

About [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 119483328) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID119483328
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESNCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C15H17FN4O/c16-12-3-1-11(2-4-12)13-7-14(19-18-13)15(21)20-6-5-10(8-17)9-20/h1-4,7,10H,5-6,8-9,17H2,(H,18,19)
InChIKeyWTCONIPVNDSPNF-UHFFFAOYSA-N
XLogP1.64
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 119483328) is [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is NCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is WTCONIPVNDSPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-12-3-1-11(2-4-12)13-7-14(19-18-13)15(21)20-6-5-10(8-17)9-20/h1-4,7,10H,5-6,8-9,17H2,(H,18,19).
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 288.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 119483328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).