2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one

C18H21N5O — CID 137054059

IUPAC2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESCc1nn(C)c(C)c1C1CCCN1c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H21N5O/c1-11-16(12(2)22(3)21-11)15-9-6-10-23(15)18-19-14-8-5-4-7-13(14)17(24)20-18/h4-5,7-8,15H,6,9-10H2,1-3H3,(H,19,20,24)
InChIKeyLIQBFCNVEFVXHP-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.61
Rot. Bonds2

About 2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one

2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one (PubChem CID 137054059) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one
PubChem CID137054059
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESCc1nn(C)c(C)c1C1CCCN1c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H21N5O/c1-11-16(12(2)22(3)21-11)15-9-6-10-23(15)18-19-14-8-5-4-7-13(14)17(24)20-18/h4-5,7-8,15H,6,9-10H2,1-3H3,(H,19,20,24)
InChIKeyLIQBFCNVEFVXHP-UHFFFAOYSA-N
XLogP2.61
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 137268434
2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one
CID 137264486
6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136785598
2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487
2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209450
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116
(2S)-2-phenyl-2-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95610209
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209480
5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 75420221
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one (CID 137054059) is 2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one is Cc1nn(C)c(C)c1C1CCCN1c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
The InChIKey is LIQBFCNVEFVXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-16(12(2)22(3)21-11)15-9-6-10-23(15)18-19-14-8-5-4-7-13(14)17(24)20-18/h4-5,7-8,15H,6,9-10H2,1-3H3,(H,19,20,24).
What are the key properties of 2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137054059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).