N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide

C19H22N4OS — CID 166218469

IUPACN-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
SMILESCc1cnccc1-c1ccc(C(=O)Nc2cnn(CC(C)C)c2C)s1
InChIInChI=1S/C19H22N4OS/c1-12(2)11-23-14(4)16(10-21-23)22-19(24)18-6-5-17(25-18)15-7-8-20-9-13(15)3/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeySNACJTYHTOTOAV-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.53
Rot. Bonds5

About N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide

N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide (PubChem CID 166218469) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
PubChem CID166218469
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
SMILESCc1cnccc1-c1ccc(C(=O)Nc2cnn(CC(C)C)c2C)s1
InChIInChI=1S/C19H22N4OS/c1-12(2)11-23-14(4)16(10-21-23)22-19(24)18-6-5-17(25-18)15-7-8-20-9-13(15)3/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeySNACJTYHTOTOAV-UHFFFAOYSA-N
XLogP4.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Aminophenyl)-4-(1-(2-(3-thienyl)ethyl)-1H-1,2,3-triazol-4-yl)benzamide
CID 71721946
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CID 2999058
3-(5-ME-2-Thienyl)-N'-(1-(4-pyridinyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5393006
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
N-hydroxy-5-(1-(2-oxo-2-(quinolin-8-ylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 9977875
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166
US9586948, Example 22
CID 117872182
4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-5-methyl-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432730
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432772

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide (CID 166218469) is N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide is Cc1cnccc1-c1ccc(C(=O)Nc2cnn(CC(C)C)c2C)s1.
What is the InChIKey of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
The InChIKey is SNACJTYHTOTOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12(2)11-23-14(4)16(10-21-23)22-19(24)18-6-5-17(25-18)15-7-8-20-9-13(15)3/h5-10,12H,11H2,1-4H3,(H,22,24).
What are the key properties of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 166218469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).