(3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine

C16H21FN4O — CID 141188349

IUPAC(3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine
SMILESCOc1ccc(Cn2ccc(N[C@H]3CCNC[C@@H]3F)n2)cc1
InChIInChI=1S/C16H21FN4O/c1-22-13-4-2-12(3-5-13)11-21-9-7-16(20-21)19-15-6-8-18-10-14(15)17/h2-5,7,9,14-15,18H,6,8,10-11H2,1H3,(H,19,20)/t14-,15-/m0/s1
InChIKeyUTMIUJXPKQJOOX-GJZGRUSLSA-N
MW304.37 g/mol
LogP2.05
Rot. Bonds5

About (3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine

(3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine (PubChem CID 141188349) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine
PubChem CID141188349
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name(3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine
SMILESCOc1ccc(Cn2ccc(N[C@H]3CCNC[C@@H]3F)n2)cc1
InChIInChI=1S/C16H21FN4O/c1-22-13-4-2-12(3-5-13)11-21-9-7-16(20-21)19-15-6-8-18-10-14(15)17/h2-5,7,9,14-15,18H,6,8,10-11H2,1H3,(H,19,20)/t14-,15-/m0/s1
InChIKeyUTMIUJXPKQJOOX-GJZGRUSLSA-N
XLogP2.05
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-((3,4-dimethoxyphenyl)methyl)-1H-pyrazol-5-amine
CID 3154154
N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 57878392
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560394
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
1-(2-Methoxybenzyl)-1H-pyrazol-5-amine
CID 3161263
1-(4-methoxybenzyl)-1H-pyrazol-3-amine
CID 17972321
1-((4-methoxyphenyl)methyl)-1H-pyrazol-5-amine
CID 3161262
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24791091
N-[1-(1-cyclobutyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 24816610
N-{1-[1-(4-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816991
N-(1-{1-[4-(difluoromethoxy)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24817009

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine?
The IUPAC name of (3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine (CID 141188349) is (3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine.
What is the SMILES notation for (3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine?
The canonical SMILES for (3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine is COc1ccc(Cn2ccc(N[C@H]3CCNC[C@@H]3F)n2)cc1.
What is the InChIKey of (3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine?
The InChIKey is UTMIUJXPKQJOOX-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-22-13-4-2-12(3-5-13)11-21-9-7-16(20-21)19-15-6-8-18-10-14(15)17/h2-5,7,9,14-15,18H,6,8,10-11H2,1H3,(H,19,20)/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine?
(3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine has a molecular weight of 304.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 141188349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).