4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline

C18H24ClN5 — CID 46973139

IUPAC4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESCc1nn(Cc2nc(N3CCCC3)nc3c2CCCC3)c(C)c1Cl
InChIInChI=1S/C18H24ClN5/c1-12-17(19)13(2)24(22-12)11-16-14-7-3-4-8-15(14)20-18(21-16)23-9-5-6-10-23/h3-11H2,1-2H3
InChIKeyHTLBPDKMFHXHJC-UHFFFAOYSA-N
MW345.88 g/mol
LogP3.47
Rot. Bonds3

About 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 46973139) has the molecular formula C18H24ClN5 and a molecular weight of 345.88 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID46973139
Molecular FormulaC18H24ClN5
Molecular Weight345.88 g/mol
Exact Mass345.17
IUPAC Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESCc1nn(Cc2nc(N3CCCC3)nc3c2CCCC3)c(C)c1Cl
InChIInChI=1S/C18H24ClN5/c1-12-17(19)13(2)24(22-12)11-16-14-7-3-4-8-15(14)20-18(21-16)23-9-5-6-10-23/h3-11H2,1-2H3
InChIKeyHTLBPDKMFHXHJC-UHFFFAOYSA-N
XLogP3.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline (CID 46973139) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline is Cc1nn(Cc2nc(N3CCCC3)nc3c2CCCC3)c(C)c1Cl.
What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is HTLBPDKMFHXHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5/c1-12-17(19)13(2)24(22-12)11-16-14-7-3-4-8-15(14)20-18(21-16)23-9-5-6-10-23/h3-11H2,1-2H3.
What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline?
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 345.88 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 46973139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).