N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide

C14H19N3OS — CID 56752170

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)c1cccs1
InChIInChI=1S/C14H19N3OS/c1-10-12(11(2)16-15-10)6-4-8-17(3)14(18)13-7-5-9-19-13/h5,7,9H,4,6,8H2,1-3H3,(H,15,16)
InChIKeyNXQCGAJCRHTCAC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.79
Rot. Bonds5

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide (PubChem CID 56752170) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide
PubChem CID56752170
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)c1cccs1
InChIInChI=1S/C14H19N3OS/c1-10-12(11(2)16-15-10)6-4-8-17(3)14(18)13-7-5-9-19-13/h5,7,9H,4,6,8H2,1-3H3,(H,15,16)
InChIKeyNXQCGAJCRHTCAC-UHFFFAOYSA-N
XLogP2.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
CID 5343075
3-tert-butyl-N'-[(3-methyl-2-thienyl)methylene]-1H-pyrazole-5-carbohydrazide
CID 5345393
N-butyl-N-methyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 11645322
{1-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl}(3-methyl-2-thienyl)methanone
CID 16192189
3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide
CID 118715044
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-[(3-methyl-2-thienyl)methylene]propanohydrazide
CID 5395168
3-(3-fluorophenyl)-5-(2-thienylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 42530235
N-[(4-fluorophenyl)methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49790776
N-cyclohexyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44405940
N-benzyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44405941
N-butyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44405938
N-butyl-N,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44405939

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide (CID 56752170) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide is Cc1n[nH]c(C)c1CCCN(C)C(=O)c1cccs1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide?
The InChIKey is NXQCGAJCRHTCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-12(11(2)16-15-10)6-4-8-17(3)14(18)13-7-5-9-19-13/h5,7,9H,4,6,8H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56752170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).