4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide

C19H23ClN4O2 — CID 126429602

IUPAC4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCOC1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1
InChIInChI=1S/C19H23ClN4O2/c20-16-4-2-1-3-15(16)18-11-17(22-23-18)13-5-8-24(9-6-13)19(25)21-14-7-10-26-12-14/h1-4,11,13-14H,5-10,12H2,(H,21,25)(H,22,23)/t14-/m0/s1
InChIKeyDPQYLBSMJSJQTL-AWEZNQCLSA-N
MW374.87 g/mol
LogP3.41
Rot. Bonds3

About 4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide

4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide (PubChem CID 126429602) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide
PubChem CID126429602
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCOC1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1
InChIInChI=1S/C19H23ClN4O2/c20-16-4-2-1-3-15(16)18-11-17(22-23-18)13-5-8-24(9-6-13)19(25)21-14-7-10-26-12-14/h1-4,11,13-14H,5-10,12H2,(H,21,25)(H,22,23)/t14-/m0/s1
InChIKeyDPQYLBSMJSJQTL-AWEZNQCLSA-N
XLogP3.41
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N~1~-(2-methoxyethyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 53185327
[2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 56710516
[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56716669
N~1~-(2-Methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-YL)tetrahydro-1(2H)-pyridinecarboxamide
CID 53185320
[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 56721809
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 53185305
[3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241423
[3-[5-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241530
3-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea
CID 51124419
3-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea
CID 52514476
3-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea
CID 52514480
1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 55994235

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide (CID 126429602) is 4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide is O=C(N[C@H]1CCOC1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide?
The InChIKey is DPQYLBSMJSJQTL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-16-4-2-1-3-15(16)18-11-17(22-23-18)13-5-8-24(9-6-13)19(25)21-14-7-10-26-12-14/h1-4,11,13-14H,5-10,12H2,(H,21,25)(H,22,23)/t14-/m0/s1.
What are the key properties of 4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide?
4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 126429602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).