N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide

C14H19N3OS — CID 54876858

IUPACN,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2c(C)n[nH]c2C)s1
InChIInChI=1S/C14H19N3OS/c1-8-6-7-12(19-8)11(4)17(5)14(18)13-9(2)15-16-10(13)3/h6-7,11H,1-5H3,(H,15,16)
InChIKeyCRHYGRHGNFJIQU-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.23
Rot. Bonds3

About N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide

N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 54876858) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID54876858
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2c(C)n[nH]c2C)s1
InChIInChI=1S/C14H19N3OS/c1-8-6-7-12(19-8)11(4)17(5)14(18)13-9(2)15-16-10(13)3/h6-7,11H,1-5H3,(H,15,16)
InChIKeyCRHYGRHGNFJIQU-UHFFFAOYSA-N
XLogP3.23
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524839
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 55178601
5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 61076317
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 79964283
4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81307886
3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81472617
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465761
N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 54873710
3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 115930368
3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 64676730

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 54876858) is N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2c(C)n[nH]c2C)s1.
What is the InChIKey of N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is CRHYGRHGNFJIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-8-6-7-12(19-8)11(4)17(5)14(18)13-9(2)15-16-10(13)3/h6-7,11H,1-5H3,(H,15,16).
What are the key properties of N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54876858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).