N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide

C15H18N4OS — CID 82906578

IUPACN-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccccc1Cn1cccn1)C1CSCCN1
InChIInChI=1S/C15H18N4OS/c20-15(14-11-21-9-7-16-14)18-13-5-2-1-4-12(13)10-19-8-3-6-17-19/h1-6,8,14,16H,7,9-11H2,(H,18,20)
InChIKeySOPPSRAKBGHSDB-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide

N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide (PubChem CID 82906578) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide
PubChem CID82906578
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccccc1Cn1cccn1)C1CSCCN1
InChIInChI=1S/C15H18N4OS/c20-15(14-11-21-9-7-16-14)18-13-5-2-1-4-12(13)10-19-8-3-6-17-19/h1-6,8,14,16H,7,9-11H2,(H,18,20)
InChIKeySOPPSRAKBGHSDB-UHFFFAOYSA-N
XLogP1.57
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide
CID 82896732
N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
CID 82909130
N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
CID 82905917
N-(2-propylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43703955
2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79843343
(E)-4-oxo-4-[2-(pyrazol-1-ylmethyl)anilino]but-2-enoic acid
CID 60941126
N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide
CID 82906619
3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46427586
N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide
CID 82918036
N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43712493
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
CID 131930636
5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 56797332

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide (CID 82906578) is N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide is O=C(Nc1ccccc1Cn1cccn1)C1CSCCN1.
What is the InChIKey of N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide?
The InChIKey is SOPPSRAKBGHSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-15(14-11-21-9-7-16-14)18-13-5-2-1-4-12(13)10-19-8-3-6-17-19/h1-6,8,14,16H,7,9-11H2,(H,18,20).
What are the key properties of N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide?
N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).