3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide

C15H15N5OS — CID 122300397

IUPAC3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide
SMILESCc1ccsc1CCC(=O)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C15H15N5OS/c1-11-5-8-22-13(11)3-4-14(21)19-12-9-16-15(17-10-12)20-7-2-6-18-20/h2,5-10H,3-4H2,1H3,(H,19,21)
InChIKeyBMKGMEDMQCYVBM-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.60
Rot. Bonds5

About 3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide

3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide (PubChem CID 122300397) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide
PubChem CID122300397
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide
SMILESCc1ccsc1CCC(=O)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C15H15N5OS/c1-11-5-8-22-13(11)3-4-14(21)19-12-9-16-15(17-10-12)20-7-2-6-18-20/h2,5-10H,3-4H2,1H3,(H,19,21)
InChIKeyBMKGMEDMQCYVBM-UHFFFAOYSA-N
XLogP2.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
CID 122298326
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300273
N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
CID 122300366
2-(2-methoxyphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300315
2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300328
(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122300255
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 122300304
N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
CID 122320309
5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide
CID 122300381

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide (CID 122300397) is 3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide is Cc1ccsc1CCC(=O)Nc1cnc(-n2cccn2)nc1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide?
The InChIKey is BMKGMEDMQCYVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-11-5-8-22-13(11)3-4-14(21)19-12-9-16-15(17-10-12)20-7-2-6-18-20/h2,5-10H,3-4H2,1H3,(H,19,21).
What are the key properties of 3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide?
3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide has a molecular weight of 313.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 122300397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).