(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide

C16H19FN4O2 — CID 154818179

IUPAC(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@H]1C[C@H](C(=O)NCc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1O
InChIInChI=1S/C16H19FN4O2/c17-12-1-3-13(4-2-12)21-9-10(8-20-21)7-19-16(23)11-5-14(18)15(22)6-11/h1-4,8-9,11,14-15,22H,5-7,18H2,(H,19,23)/t11-,14-,15-/m0/s1
InChIKeyPNSQVPQTJFLFFD-CQDKDKBSSA-N
MW318.35 g/mol
LogP0.73
Rot. Bonds4

About (1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide

(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide (PubChem CID 154818179) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
PubChem CID154818179
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@H]1C[C@H](C(=O)NCc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1O
InChIInChI=1S/C16H19FN4O2/c17-12-1-3-13(4-2-12)21-9-10(8-20-21)7-19-16(23)11-5-14(18)15(22)6-11/h1-4,8-9,11,14-15,22H,5-7,18H2,(H,19,23)/t11-,14-,15-/m0/s1
InChIKeyPNSQVPQTJFLFFD-CQDKDKBSSA-N
XLogP0.73
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155938457
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155494382
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
(1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818526
(2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 126440633
N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide
CID 53161690
(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 97151070
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
(3R)-1-benzyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 42032570

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide (CID 154818179) is (1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide is N[C@H]1C[C@H](C(=O)NCc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1O.
What is the InChIKey of (1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
The InChIKey is PNSQVPQTJFLFFD-CQDKDKBSSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-12-1-3-13(4-2-12)21-9-10(8-20-21)7-19-16(23)11-5-14(18)15(22)6-11/h1-4,8-9,11,14-15,22H,5-7,18H2,(H,19,23)/t11-,14-,15-/m0/s1.
What are the key properties of (1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 154818179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).