[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

C17H21FN4O — CID 124569387

IUPAC[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESC[C@H](N)[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C17H21FN4O/c1-12(19)16-7-2-3-9-21(16)17(23)15-8-10-22(20-15)14-6-4-5-13(18)11-14/h4-6,8,10-12,16H,2-3,7,9,19H2,1H3/t12-,16+/m0/s1
InChIKeyBDNSASWESJMYBW-BLLLJJGKSA-N
MW316.38 g/mol
LogP2.35
Rot. Bonds3

About [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (PubChem CID 124569387) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
PubChem CID124569387
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESC[C@H](N)[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C17H21FN4O/c1-12(19)16-7-2-3-9-21(16)17(23)15-8-10-22(20-15)14-6-4-5-13(18)11-14/h4-6,8,10-12,16H,2-3,7,9,19H2,1H3/t12-,16+/m0/s1
InChIKeyBDNSASWESJMYBW-BLLLJJGKSA-N
XLogP2.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone
CID 119437734
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124573470
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124689358
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119436927
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
[2-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
CID 119437375
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124690820
[2-(1-aminoethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119435117
[1-(3-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023506
[2-(1-aminoethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119435840
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95346124

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The IUPAC name of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (CID 124569387) is [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is C[C@H](N)[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The InChIKey is BDNSASWESJMYBW-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12(19)16-7-2-3-9-21(16)17(23)15-8-10-22(20-15)14-6-4-5-13(18)11-14/h4-6,8,10-12,16H,2-3,7,9,19H2,1H3/t12-,16+/m0/s1.
What are the key properties of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 124569387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).