N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C15H19N3O2S — CID 71686918

IUPACN-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC1(CNC(=O)c2cc(-c3cccs3)[nH]n2)CCOCC1
InChIInChI=1S/C15H19N3O2S/c1-15(4-6-20-7-5-15)10-16-14(19)12-9-11(17-18-12)13-3-2-8-21-13/h2-3,8-9H,4-7,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyWUGJLVAYKMOGBX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.68
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 71686918) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID71686918
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC1(CNC(=O)c2cc(-c3cccs3)[nH]n2)CCOCC1
InChIInChI=1S/C15H19N3O2S/c1-15(4-6-20-7-5-15)10-16-14(19)12-9-11(17-18-12)13-3-2-8-21-13/h2-3,8-9H,4-7,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyWUGJLVAYKMOGBX-UHFFFAOYSA-N
XLogP2.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
5-(5-methylthiophen-2-yl)-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide
CID 45827434
N-[(4-fluorophenyl)methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49790776
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49795478
3-(4-fluoro-2-methylphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49795849
5-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 53537651
5-(5-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 45818567
N-cyclopropyl-N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 45828609
1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676923
5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 71896699
5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927144
[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 74241037

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 71686918) is N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CC1(CNC(=O)c2cc(-c3cccs3)[nH]n2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is WUGJLVAYKMOGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(4-6-20-7-5-15)10-16-14(19)12-9-11(17-18-12)13-3-2-8-21-13/h2-3,8-9H,4-7,10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71686918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).