5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one

C13H11ClN4OS — CID 136953924

IUPAC5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cc(NCc3ccc(Cl)s3)n[nH]2)c[nH]1
InChIInChI=1S/C13H11ClN4OS/c14-11-3-2-9(20-11)7-15-12-5-10(17-18-12)8-1-4-13(19)16-6-8/h1-6H,7H2,(H,16,19)(H2,15,17,18)
InChIKeyDFUKDYMHMYRVID-UHFFFAOYSA-N
MW306.78 g/mol
LogP3.09
Rot. Bonds4

About 5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one

5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one (PubChem CID 136953924) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is 5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one
PubChem CID136953924
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cc(NCc3ccc(Cl)s3)n[nH]2)c[nH]1
InChIInChI=1S/C13H11ClN4OS/c14-11-3-2-9(20-11)7-15-12-5-10(17-18-12)8-1-4-13(19)16-6-8/h1-6H,7H2,(H,16,19)(H2,15,17,18)
InChIKeyDFUKDYMHMYRVID-UHFFFAOYSA-N
XLogP3.09
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 135334165
N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-3-yl-1H-pyrazol-3-amine
CID 154029310
N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 122508899
3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
CID 166581259
6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide
CID 112727012
3-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]-1H-pyridazin-6-one
CID 168582967
5-[(5-chlorothiophen-2-yl)methylamino]isoindole-1,3-dione
CID 28619990
N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine
CID 61397845
N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
CID 43691132
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine
CID 114276507
5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63047423

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one (CID 136953924) is 5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one is O=c1ccc(-c2cc(NCc3ccc(Cl)s3)n[nH]2)c[nH]1.
What is the InChIKey of 5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one?
The InChIKey is DFUKDYMHMYRVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c14-11-3-2-9(20-11)7-15-12-5-10(17-18-12)8-1-4-13(19)16-6-8/h1-6H,7H2,(H,16,19)(H2,15,17,18).
What are the key properties of 5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one?
5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one has a molecular weight of 306.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136953924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).