N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C17H17N3OS — CID 17449715

IUPACN,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C17H17N3OS/c1-13-8-9-16(22-13)17(21)19(2)11-14-10-18-20(12-14)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3
InChIKeyCMJNOZQTDVMXAV-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.51
Rot. Bonds4

About N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide

N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 17449715) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID17449715
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C17H17N3OS/c1-13-8-9-16(22-13)17(21)19(2)11-14-10-18-20(12-14)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3
InChIKeyCMJNOZQTDVMXAV-UHFFFAOYSA-N
XLogP3.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 78846347
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 97111991
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-methyl-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 134036021
7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
CID 55823560
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 17449715) is N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)s1.
What is the InChIKey of N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is CMJNOZQTDVMXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-13-8-9-16(22-13)17(21)19(2)11-14-10-18-20(12-14)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 17449715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).