4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide

C15H22N4OS — CID 62077582

IUPAC4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(Cc2cccs2)C(C)C)c1N
InChIInChI=1S/C15H22N4OS/c1-9(2)13-12(16)14(18-17-13)15(20)19(10(3)4)8-11-6-5-7-21-11/h5-7,9-10H,8,16H2,1-4H3,(H,17,18)
InChIKeyFTQPVKMYXIITJT-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.23
Rot. Bonds5

About 4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide

4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62077582) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID62077582
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(Cc2cccs2)C(C)C)c1N
InChIInChI=1S/C15H22N4OS/c1-9(2)13-12(16)14(18-17-13)15(20)19(10(3)4)8-11-6-5-7-21-11/h5-7,9-10H,8,16H2,1-4H3,(H,17,18)
InChIKeyFTQPVKMYXIITJT-UHFFFAOYSA-N
XLogP3.23
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080802
N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 61394676
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55115786
4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56563157
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 62076734
3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61450256
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 62077582) is 4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(Cc2cccs2)C(C)C)c1N.
What is the InChIKey of 4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is FTQPVKMYXIITJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9(2)13-12(16)14(18-17-13)15(20)19(10(3)4)8-11-6-5-7-21-11/h5-7,9-10H,8,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).