4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide

C13H18N4OS — CID 79469954

IUPAC4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1c(N)cnn1C
InChIInChI=1S/C13H18N4OS/c1-9(7-10-5-4-6-19-10)16(2)13(18)12-11(14)8-15-17(12)3/h4-6,8-9H,7,14H2,1-3H3
InChIKeyRIAZQEFWGOTCRT-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.77
Rot. Bonds4

About 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide

4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide (PubChem CID 79469954) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide
PubChem CID79469954
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1c(N)cnn1C
InChIInChI=1S/C13H18N4OS/c1-9(7-10-5-4-6-19-10)16(2)13(18)12-11(14)8-15-17(12)3/h4-6,8-9H,7,14H2,1-3H3
InChIKeyRIAZQEFWGOTCRT-UHFFFAOYSA-N
XLogP1.77
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 65355621
4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide
CID 65355914
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 79494174
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
4-amino-1-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 65357724
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
6-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 113323652
3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 115673134
3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 79493993
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide (CID 79469954) is 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide is CC(Cc1cccs1)N(C)C(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide?
The InChIKey is RIAZQEFWGOTCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9(7-10-5-4-6-19-10)16(2)13(18)12-11(14)8-15-17(12)3/h4-6,8-9H,7,14H2,1-3H3.
What are the key properties of 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide?
4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 79469954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).