N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

C14H21ClN4OS — CID 119605510

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cc(-c2cccs2)[nH]n1.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-9(2)14(3,8-15)16-13(19)11-7-10(17-18-11)12-5-4-6-20-12;/h4-7,9H,8,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyKKPCEGQPENAIMM-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.66
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119605510) has the molecular formula C14H21ClN4OS and a molecular weight of 328.87 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119605510
Molecular FormulaC14H21ClN4OS
Molecular Weight328.87 g/mol
Exact Mass328.11
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cc(-c2cccs2)[nH]n1.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-9(2)14(3,8-15)16-13(19)11-7-10(17-18-11)12-5-4-6-20-12;/h4-7,9H,8,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyKKPCEGQPENAIMM-UHFFFAOYSA-N
XLogP2.66
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119605510) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1cc(-c2cccs2)[nH]n1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is KKPCEGQPENAIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS.ClH/c1-9(2)14(3,8-15)16-13(19)11-7-10(17-18-11)12-5-4-6-20-12;/h4-7,9H,8,15H2,1-3H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 328.87 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119605510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).