3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C14H18ClN5O — CID 103483917

IUPAC3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCn1nc(C)c(Cl)c1Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C14H18ClN5O/c1-3-20-12(13(15)9(2)18-20)7-19-8-17-11-6-16-5-4-10(11)14(19)21/h8,16H,3-7H2,1-2H3
InChIKeyWJMUXJUXCJMRNB-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.12
Rot. Bonds3

About 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483917) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483917
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCn1nc(C)c(Cl)c1Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C14H18ClN5O/c1-3-20-12(13(15)9(2)18-20)7-19-8-17-11-6-16-5-4-10(11)14(19)21/h8,16H,3-7H2,1-2H3
InChIKeyWJMUXJUXCJMRNB-UHFFFAOYSA-N
XLogP1.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[3-(dimethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266781
4-chloro-N-[2-(diethylamino)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266939
4-chloro-N-[3-(diethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266940
N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 56720164
2-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 65856728
1-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-3,3-dimethylpiperazin-2-one
CID 65857527
1-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-ethylpiperazin-2-one
CID 65857730
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-N,N-dimethylpropanamide
CID 65858721
5-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methylamino]piperidin-2-one
CID 65859138
4-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methylamino]butanamide
CID 65859272
5-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methylamino]-1-methylpiperidin-2-one
CID 65859345
N-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]ethyl]acetamide
CID 65859661

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483917) is 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCn1nc(C)c(Cl)c1Cn1cnc2c(c1=O)CCNC2.
What is the InChIKey of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WJMUXJUXCJMRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-3-20-12(13(15)9(2)18-20)7-19-8-17-11-6-16-5-4-10(11)14(19)21/h8,16H,3-7H2,1-2H3.
What are the key properties of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 307.79 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).