1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride

C17H23ClN4O2 — CID 171708235

IUPAC1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride
SMILESCCn1ccc(C(=O)N[C@]2(c3ccccc3)CCNC[C@H]2O)n1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-2-21-11-8-14(20-21)16(23)19-17(9-10-18-12-15(17)22)13-6-4-3-5-7-13;/h3-8,11,15,18,22H,2,9-10,12H2,1H3,(H,19,23);1H/t15-,17+;/m1./s1
InChIKeyJETBPSUPVPXXAD-KALLACGZSA-N
MW350.85 g/mol
LogP1.30
Rot. Bonds4

About 1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride

1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 171708235) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride
PubChem CID171708235
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride
SMILESCCn1ccc(C(=O)N[C@]2(c3ccccc3)CCNC[C@H]2O)n1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-2-21-11-8-14(20-21)16(23)19-17(9-10-18-12-15(17)22)13-6-4-3-5-7-13;/h3-8,11,15,18,22H,2,9-10,12H2,1H3,(H,19,23);1H/t15-,17+;/m1./s1
InChIKeyJETBPSUPVPXXAD-KALLACGZSA-N
XLogP1.30
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride (CID 171708235) is 1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride is CCn1ccc(C(=O)N[C@]2(c3ccccc3)CCNC[C@H]2O)n1.Cl.
What is the InChIKey of 1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is JETBPSUPVPXXAD-KALLACGZSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-2-21-11-8-14(20-21)16(23)19-17(9-10-18-12-15(17)22)13-6-4-3-5-7-13;/h3-8,11,15,18,22H,2,9-10,12H2,1H3,(H,19,23);1H/t15-,17+;/m1./s1.
What are the key properties of 1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride?
1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 171708235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).