(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C12H21ClN4O2 — CID 155939292

IUPAC(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1C[C@@H](C(=O)NCCc2cn[nH]c2)CC[C@H]1O
InChIInChI=1S/C12H20N4O2.ClH/c13-10-5-9(1-2-11(10)17)12(18)14-4-3-8-6-15-16-7-8;/h6-7,9-11,17H,1-5,13H2,(H,14,18)(H,15,16);1H/t9-,10+,11+;/m0./s1
InChIKeyZTOPDNJEPALWLZ-RIAUZDOBSA-N
MW288.78 g/mol
LogP-0.02
Rot. Bonds4

About (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride

(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 155939292) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID155939292
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1C[C@@H](C(=O)NCCc2cn[nH]c2)CC[C@H]1O
InChIInChI=1S/C12H20N4O2.ClH/c13-10-5-9(1-2-11(10)17)12(18)14-4-3-8-6-15-16-7-8;/h6-7,9-11,17H,1-5,13H2,(H,14,18)(H,15,16);1H/t9-,10+,11+;/m0./s1
InChIKeyZTOPDNJEPALWLZ-RIAUZDOBSA-N
XLogP-0.02
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 170511269
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940415
(1S,3R,4R)-3-amino-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940977
N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556
(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155494382
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexane-1-carboxamide
CID 155504407
N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
CID 61000741
2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 64822050
4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 154901499
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155938702
1-amino-3-[2-(1H-pyrazol-4-yl)ethyl]thiourea
CID 127014953
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 135095882

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 155939292) is (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride is Cl.N[C@@H]1C[C@@H](C(=O)NCCc2cn[nH]c2)CC[C@H]1O.
What is the InChIKey of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZTOPDNJEPALWLZ-RIAUZDOBSA-N. The full InChI is InChI=1S/C12H20N4O2.ClH/c13-10-5-9(1-2-11(10)17)12(18)14-4-3-8-6-15-16-7-8;/h6-7,9-11,17H,1-5,13H2,(H,14,18)(H,15,16);1H/t9-,10+,11+;/m0./s1.
What are the key properties of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of -0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155939292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).