N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C14H19N3OS — CID 24619710

IUPACN-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1cccs1
InChIInChI=1S/C14H19N3OS/c1-10-13(11(2)17(3)16-10)6-7-14(18)15-9-12-5-4-8-19-12/h4-5,8H,6-7,9H2,1-3H3,(H,15,18)
InChIKeyAPYIZAMQDIHUJX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.35
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 24619710) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID24619710
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1cccs1
InChIInChI=1S/C14H19N3OS/c1-10-13(11(2)17(3)16-10)6-7-14(18)15-9-12-5-4-8-19-12/h4-5,8H,6-7,9H2,1-3H3,(H,15,18)
InChIKeyAPYIZAMQDIHUJX-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2122224
N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}thiophene-2-carboxamide
CID 2225442
N-allyl-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3707798
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 29650123
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 31533442
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 31646009
1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
CID 45805410
N,N-dimethyl-2-({[3-(3-thienyl)propanoyl]amino}methyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
CID 70764641
N-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797442
N-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-2-(thiophen-2-yl)acetamide
CID 71807733

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 24619710) is N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is APYIZAMQDIHUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-13(11(2)17(3)16-10)6-7-14(18)15-9-12-5-4-8-19-12/h4-5,8H,6-7,9H2,1-3H3,(H,15,18).
What are the key properties of N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 277.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24619710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).