(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride

C17H22ClFN4O2 — CID 155938457

IUPAC(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CC[C@H](C(=O)NCc2cnn(-c3cccc(F)c3)c2)C[C@H]1O
InChIInChI=1S/C17H21FN4O2.ClH/c18-13-2-1-3-14(7-13)22-10-11(9-21-22)8-20-17(24)12-4-5-15(19)16(23)6-12;/h1-3,7,9-10,12,15-16,23H,4-6,8,19H2,(H,20,24);1H/t12-,15+,16+;/m0./s1
InChIKeyQOMIYAIMJIFNQN-VEVZXVCZSA-N
MW368.84 g/mol
LogP1.54
Rot. Bonds4

About (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride

(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride (PubChem CID 155938457) has the molecular formula C17H22ClFN4O2 and a molecular weight of 368.84 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride
PubChem CID155938457
Molecular FormulaC17H22ClFN4O2
Molecular Weight368.84 g/mol
Exact Mass368.14
IUPAC Name(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CC[C@H](C(=O)NCc2cnn(-c3cccc(F)c3)c2)C[C@H]1O
InChIInChI=1S/C17H21FN4O2.ClH/c18-13-2-1-3-14(7-13)22-10-11(9-21-22)8-20-17(24)12-4-5-15(19)16(23)6-12;/h1-3,7,9-10,12,15-16,23H,4-6,8,19H2,(H,20,24);1H/t12-,15+,16+;/m0./s1
InChIKeyQOMIYAIMJIFNQN-VEVZXVCZSA-N
XLogP1.54
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818179
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 97151070
1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 70729694
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99973189
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
CID 70767719
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 91781842
(1S,3R,4R)-4-amino-3-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940236
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide
CID 131941375
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97203341
3-amino-N-[(1-benzylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728085
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide
CID 86284172

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride (CID 155938457) is (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride is Cl.N[C@@H]1CC[C@H](C(=O)NCc2cnn(-c3cccc(F)c3)c2)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride?
The InChIKey is QOMIYAIMJIFNQN-VEVZXVCZSA-N. The full InChI is InChI=1S/C17H21FN4O2.ClH/c18-13-2-1-3-14(7-13)22-10-11(9-21-22)8-20-17(24)12-4-5-15(19)16(23)6-12;/h1-3,7,9-10,12,15-16,23H,4-6,8,19H2,(H,20,24);1H/t12-,15+,16+;/m0./s1.
What are the key properties of (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride?
(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride has a molecular weight of 368.84 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155938457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).