4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide

C12H16N4OS — CID 55178601

IUPAC4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2[nH]ncc2N)s1
InChIInChI=1S/C12H16N4OS/c1-7-4-5-10(18-7)8(2)16(3)12(17)11-9(13)6-14-15-11/h4-6,8H,13H2,1-3H3,(H,14,15)
InChIKeyJSISEMFIHVCEQH-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.20
Rot. Bonds3

About 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide

4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 55178601) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID55178601
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2[nH]ncc2N)s1
InChIInChI=1S/C12H16N4OS/c1-7-4-5-10(18-7)8(2)16(3)12(17)11-9(13)6-14-15-11/h4-6,8H,13H2,1-3H3,(H,14,15)
InChIKeyJSISEMFIHVCEQH-UHFFFAOYSA-N
XLogP2.20
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 63106676
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524839
N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 54876858
3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 115930368
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61116791
5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 61076317
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
2,2-dimethyl-3-[methyl-[1-(5-methylthiophen-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64837699
3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 64676730
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 79964283

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 55178601) is 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2[nH]ncc2N)s1.
What is the InChIKey of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JSISEMFIHVCEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-4-5-10(18-7)8(2)16(3)12(17)11-9(13)6-14-15-11/h4-6,8H,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55178601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).