N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

C18H19ClN4OS — CID 24993446

IUPACN-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nccc1-c1cc(C(=O)NC(CN)Cc2ccccc2)sc1Cl
InChIInChI=1S/C18H19ClN4OS/c1-23-15(7-8-21-23)14-10-16(25-17(14)19)18(24)22-13(11-20)9-12-5-3-2-4-6-12/h2-8,10,13H,9,11,20H2,1H3,(H,22,24)
InChIKeyFNROVLCSVCNVCA-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.10
Rot. Bonds6

About N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 24993446) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID24993446
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nccc1-c1cc(C(=O)NC(CN)Cc2ccccc2)sc1Cl
InChIInChI=1S/C18H19ClN4OS/c1-23-15(7-8-21-23)14-10-16(25-17(14)19)18(24)22-13(11-20)9-12-5-3-2-4-6-12/h2-8,10,13H,9,11,20H2,1H3,(H,22,24)
InChIKeyFNROVLCSVCNVCA-UHFFFAOYSA-N
XLogP3.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide
CID 25050634
N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide
CID 25050984
N-[(2S)-1-amino-3-[3-(fluoromethyl)phenyl]propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
CID 122599574
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide;hydrochloride
CID 46843056
(2S)-2-N-[5-chloro-4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-(3-fluorophenyl)propane-1,2-diamine
CID 151033260
4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide
CID 58201475
(3R)-3-(aminomethyl)-1-[5-chloro-4-(2-methylpyrazol-3-yl)thiophen-2-yl]-4-(3,4-difluorophenyl)butan-1-one
CID 58201451
N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-chloro-4-(4-fluoro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
CID 24996591
N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24996914
N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide
CID 76576572
tert-butyl N-[2-[[4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carbonyl]amino]-3-phenylpropyl]carbamate
CID 91528949
4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 153236961

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (CID 24993446) is N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is Cn1nccc1-c1cc(C(=O)NC(CN)Cc2ccccc2)sc1Cl.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is FNROVLCSVCNVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-23-15(7-8-21-23)14-10-16(25-17(14)19)18(24)22-13(11-20)9-12-5-3-2-4-6-12/h2-8,10,13H,9,11,20H2,1H3,(H,22,24).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 374.90 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 24993446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).