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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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).