N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride

C16H22Cl2N4OS — CID 140877518

IUPACN-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1cc(NC(=O)c2cccs2)c(C2CC2NC2CCC2)n1
InChIInChI=1S/C16H20N4OS.2ClH/c1-20-9-13(18-16(21)14-6-3-7-22-14)15(19-20)11-8-12(11)17-10-4-2-5-10;;/h3,6-7,9-12,17H,2,4-5,8H2,1H3,(H,18,21);2*1H
InChIKeyYZGJPHZXLFMQCM-UHFFFAOYSA-N
MW389.35 g/mol
LogP3.58
Rot. Bonds5

About N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride

N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride (PubChem CID 140877518) has the molecular formula C16H22Cl2N4OS and a molecular weight of 389.35 g/mol. Its IUPAC name is N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride
PubChem CID140877518
Molecular FormulaC16H22Cl2N4OS
Molecular Weight389.35 g/mol
Exact Mass388.09
IUPAC NameN-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1cc(NC(=O)c2cccs2)c(C2CC2NC2CCC2)n1
InChIInChI=1S/C16H20N4OS.2ClH/c1-20-9-13(18-16(21)14-6-3-7-22-14)15(19-20)11-8-12(11)17-10-4-2-5-10;;/h3,6-7,9-12,17H,2,4-5,8H2,1H3,(H,18,21);2*1H
InChIKeyYZGJPHZXLFMQCM-UHFFFAOYSA-N
XLogP3.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
CID 118433148
N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658665
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]thiophene-2-carboxamide
CID 128997659
N-[2-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55599260
N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672
1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 60618189
N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759063
N-(2-methoxycyclopentyl)thiophene-2-carboxamide
CID 64592899
N-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-chlorophenyl]thiophene-2-carboxamide
CID 2226735

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride (CID 140877518) is N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride is Cl.Cl.Cn1cc(NC(=O)c2cccs2)c(C2CC2NC2CCC2)n1.
What is the InChIKey of N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride?
The InChIKey is YZGJPHZXLFMQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS.2ClH/c1-20-9-13(18-16(21)14-6-3-7-22-14)15(19-20)11-8-12(11)17-10-4-2-5-10;;/h3,6-7,9-12,17H,2,4-5,8H2,1H3,(H,18,21);2*1H.
What are the key properties of N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride?
N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride has a molecular weight of 389.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 140877518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).