5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide

C16H17N5OS — CID 167990256

IUPAC5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESCC(C)Cc1ccc(C(=O)Nc2cncnc2-n2cccn2)s1
InChIInChI=1S/C16H17N5OS/c1-11(2)8-12-4-5-14(23-12)16(22)20-13-9-17-10-18-15(13)21-7-3-6-19-21/h3-7,9-11H,8H2,1-2H3,(H,20,22)
InChIKeyDNLJXROHMKMISE-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.17
Rot. Bonds5

About 5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide

5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 167990256) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID167990256
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESCC(C)Cc1ccc(C(=O)Nc2cncnc2-n2cccn2)s1
InChIInChI=1S/C16H17N5OS/c1-11(2)8-12-4-5-14(23-12)16(22)20-13-9-17-10-18-15(13)21-7-3-6-19-21/h3-7,9-11H,8H2,1-2H3,(H,20,22)
InChIKeyDNLJXROHMKMISE-UHFFFAOYSA-N
XLogP3.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide
CID 138017628
2-[(2R)-oxan-2-yl]-N-(4-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 97338410
(3S)-5,6-dimethyl-N-(4-pyrazol-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124618677
N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide
CID 166318382
2-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714222
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 61180497
5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 122300304
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 62966283
5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55249100
5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
CID 43474715
5-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 82011031
5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 47114781

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (CID 167990256) is 5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is CC(C)Cc1ccc(C(=O)Nc2cncnc2-n2cccn2)s1.
What is the InChIKey of 5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is DNLJXROHMKMISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11(2)8-12-4-5-14(23-12)16(22)20-13-9-17-10-18-15(13)21-7-3-6-19-21/h3-7,9-11H,8H2,1-2H3,(H,20,22).
What are the key properties of 5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 167990256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).