N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C17H18N4OS — CID 97114757

IUPACN-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)n1
InChIInChI=1S/C17H18N4OS/c1-10-5-4-6-13(18-10)12(3)19-17(22)15-9-14(20-21-15)16-8-7-11(2)23-16/h4-9,12H,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyWUBUEKSFGQRYRG-LBPRGKRZSA-N
MW326.43 g/mol
LogP3.64
Rot. Bonds4

About N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 97114757) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID97114757
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)n1
InChIInChI=1S/C17H18N4OS/c1-10-5-4-6-13(18-10)12(3)19-17(22)15-9-14(20-21-15)16-8-7-11(2)23-16/h4-9,12H,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyWUBUEKSFGQRYRG-LBPRGKRZSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 51954505
3-(4-fluorophenyl)-3-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]propanoic acid
CID 72844694
5-(5-methylthiophen-2-yl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 39297316
ethane;N-[1-(6-methyl-2-pyridinyl)ethyl]acetamide
CID 177366227
N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 155963735
N'-[1-(2-hydroxyphenyl)ethenyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbohydrazide
CID 5057852
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 167828873
N-[(5-methylfuran-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70750896
5-(5-methylthiophen-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6869532
N-[(E)-(4-methylphenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 6057925
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 167959032
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 5392665

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 97114757) is N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1cccc([C@H](C)NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)n1.
What is the InChIKey of N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is WUBUEKSFGQRYRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10-5-4-6-13(18-10)12(3)19-17(22)15-9-14(20-21-15)16-8-7-11(2)23-16/h4-9,12H,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97114757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).