N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

C12H17ClN4OS — CID 119494825

IUPACN-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc(-c2cccs2)[nH]n1.Cl
InChIInChI=1S/C12H16N4OS.ClH/c1-8(13)4-5-14-12(17)10-7-9(15-16-10)11-3-2-6-18-11;/h2-3,6-8H,4-5,13H2,1H3,(H,14,17)(H,15,16);1H
InChIKeyWHZFFUVYGNDIPB-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.03
Rot. Bonds5

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

N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119494825) has the molecular formula C12H17ClN4OS and a molecular weight of 300.81 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119494825
Molecular FormulaC12H17ClN4OS
Molecular Weight300.81 g/mol
Exact Mass300.08
IUPAC NameN-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc(-c2cccs2)[nH]n1.Cl
InChIInChI=1S/C12H16N4OS.ClH/c1-8(13)4-5-14-12(17)10-7-9(15-16-10)11-3-2-6-18-11;/h2-3,6-8H,4-5,13H2,1H3,(H,14,17)(H,15,16);1H
InChIKeyWHZFFUVYGNDIPB-UHFFFAOYSA-N
XLogP2.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738648
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119605510
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55740476
N-(2-methyl-3-piperidin-1-ylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55982510
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121119294
N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 60511742
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990257
N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990285

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119494825) is N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is CC(N)CCNC(=O)c1cc(-c2cccs2)[nH]n1.Cl.
What is the InChIKey of N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is WHZFFUVYGNDIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS.ClH/c1-8(13)4-5-14-12(17)10-7-9(15-16-10)11-3-2-6-18-11;/h2-3,6-8H,4-5,13H2,1H3,(H,14,17)(H,15,16);1H.
What are the key properties of N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 300.81 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119494825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).