N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide

C16H23N3O2S — CID 50973233

IUPACN-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N(Cc1ccsc1)C(CC)CO
InChIInChI=1S/C16H23N3O2S/c1-3-8-19-15(5-7-17-19)16(21)18(14(4-2)11-20)10-13-6-9-22-12-13/h5-7,9,12,14,20H,3-4,8,10-11H2,1-2H3
InChIKeyGUHOEBNFZODBGO-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.77
Rot. Bonds8

About N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide

N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 50973233) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID50973233
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N(Cc1ccsc1)C(CC)CO
InChIInChI=1S/C16H23N3O2S/c1-3-8-19-15(5-7-17-19)16(21)18(14(4-2)11-20)10-13-6-9-22-12-13/h5-7,9,12,14,20H,3-4,8,10-11H2,1-2H3
InChIKeyGUHOEBNFZODBGO-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide
CID 46993383
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide
CID 50983418
4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682
2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
CID 47000015
2-propylpyrazole-3-carboxylic acid
CID 7017775
N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 38995471
4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 54877540
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116565240
2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433687

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide (CID 50973233) is N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide is CCCn1nccc1C(=O)N(Cc1ccsc1)C(CC)CO.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is GUHOEBNFZODBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-3-8-19-15(5-7-17-19)16(21)18(14(4-2)11-20)10-13-6-9-22-12-13/h5-7,9,12,14,20H,3-4,8,10-11H2,1-2H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide?
N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 50973233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).