3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride

C17H23ClN4O2 — CID 154897272

IUPAC3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCCc1ccc(-c2cc(C(=O)N[C@@H]3CCNC[C@H]3O)[nH]n2)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-2-11-3-5-12(6-4-11)14-9-15(21-20-14)17(23)19-13-7-8-18-10-16(13)22;/h3-6,9,13,16,18,22H,2,7-8,10H2,1H3,(H,19,23)(H,20,21);1H/t13-,16-;/m1./s1
InChIKeyBATNNDKFUVURSJ-OALZAMAHSA-N
MW350.85 g/mol
LogP1.51
Rot. Bonds4

About 3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride

3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 154897272) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID154897272
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCCc1ccc(-c2cc(C(=O)N[C@@H]3CCNC[C@H]3O)[nH]n2)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-2-11-3-5-12(6-4-11)14-9-15(21-20-14)17(23)19-13-7-8-18-10-16(13)22;/h3-6,9,13,16,18,22H,2,7-8,10H2,1H3,(H,19,23)(H,20,21);1H/t13-,16-;/m1./s1
InChIKeyBATNNDKFUVURSJ-OALZAMAHSA-N
XLogP1.51
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride (CID 154897272) is 3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride is CCc1ccc(-c2cc(C(=O)N[C@@H]3CCNC[C@H]3O)[nH]n2)cc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is BATNNDKFUVURSJ-OALZAMAHSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-2-11-3-5-12(6-4-11)14-9-15(21-20-14)17(23)19-13-7-8-18-10-16(13)22;/h3-6,9,13,16,18,22H,2,7-8,10H2,1H3,(H,19,23)(H,20,21);1H/t13-,16-;/m1./s1.
What are the key properties of 3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride?
3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 154897272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).