3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide

C16H21N3OS — CID 51498459

IUPAC3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(C2CC2)nn1C)c1cccs1
InChIInChI=1S/C16H21N3OS/c1-10(2)15(14-5-4-8-21-14)17-16(20)13-9-12(11-6-7-11)18-19(13)3/h4-5,8-11,15H,6-7H2,1-3H3,(H,17,20)/t15-/m1/s1
InChIKeyUPOCJYSADAHJTN-OAHLLOKOSA-N
MW303.43 g/mol
LogP3.49
Rot. Bonds5

About 3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide

3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide (PubChem CID 51498459) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide
PubChem CID51498459
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(C2CC2)nn1C)c1cccs1
InChIInChI=1S/C16H21N3OS/c1-10(2)15(14-5-4-8-21-14)17-16(20)13-9-12(11-6-7-11)18-19(13)3/h4-5,8-11,15H,6-7H2,1-3H3,(H,17,20)/t15-/m1/s1
InChIKeyUPOCJYSADAHJTN-OAHLLOKOSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 51495960
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide
CID 110221950
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 7447508
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 164846779
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide
CID 92597594

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide (CID 51498459) is 3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide is CC(C)[C@@H](NC(=O)c1cc(C2CC2)nn1C)c1cccs1.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide?
The InChIKey is UPOCJYSADAHJTN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10(2)15(14-5-4-8-21-14)17-16(20)13-9-12(11-6-7-11)18-19(13)3/h4-5,8-11,15H,6-7H2,1-3H3,(H,17,20)/t15-/m1/s1.
What are the key properties of 3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide?
3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide is sourced from PubChem (CID 51498459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).