N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide

C14H15ClN4OS — CID 82896732

IUPACN-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)C1CSCCN1
InChIInChI=1S/C14H15ClN4OS/c15-10-3-1-4-11(13(10)19-7-2-5-17-19)18-14(20)12-9-21-8-6-16-12/h1-5,7,12,16H,6,8-9H2,(H,18,20)
InChIKeyJNWRDBVCKSIRCH-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.17
Rot. Bonds3

About N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide

N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82896732) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide
PubChem CID82896732
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC NameN-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)C1CSCCN1
InChIInChI=1S/C14H15ClN4OS/c15-10-3-1-4-11(13(10)19-7-2-5-17-19)18-14(20)12-9-21-8-6-16-12/h1-5,7,12,16H,6,8-9H2,(H,18,20)
InChIKeyJNWRDBVCKSIRCH-UHFFFAOYSA-N
XLogP2.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
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CID 82906578
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
CID 87007046
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110896821
(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913077
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
(3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 129402912
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617639
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
2-[2-(3-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569144
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CID 60933767

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide (CID 82896732) is N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide is O=C(Nc1cccc(Cl)c1-n1cccn1)C1CSCCN1.
What is the InChIKey of N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is JNWRDBVCKSIRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c15-10-3-1-4-11(13(10)19-7-2-5-17-19)18-14(20)12-9-21-8-6-16-12/h1-5,7,12,16H,6,8-9H2,(H,18,20).
What are the key properties of N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide?
N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82896732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).