N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide

C17H22N4O — CID 3239194

IUPACN-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1c2c(nc3c(C(=O)NC4CCCC4)cnn13)CCCC2
InChIInChI=1S/C17H22N4O/c1-11-13-8-4-5-9-15(13)20-16-14(10-18-21(11)16)17(22)19-12-6-2-3-7-12/h10,12H,2-9H2,1H3,(H,19,22)
InChIKeyJGOJIIHFGZLPDQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.59
Rot. Bonds2

About N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide

N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide (PubChem CID 3239194) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
PubChem CID3239194
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1c2c(nc3c(C(=O)NC4CCCC4)cnn13)CCCC2
InChIInChI=1S/C17H22N4O/c1-11-13-8-4-5-9-15(13)20-16-14(10-18-21(11)16)17(22)19-12-6-2-3-7-12/h10,12H,2-9H2,1H3,(H,19,22)
InChIKeyJGOJIIHFGZLPDQ-UHFFFAOYSA-N
XLogP2.59
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide (CID 3239194) is N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide is Cc1c2c(nc3c(C(=O)NC4CCCC4)cnn13)CCCC2.
What is the InChIKey of N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The InChIKey is JGOJIIHFGZLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-13-8-4-5-9-15(13)20-16-14(10-18-21(11)16)17(22)19-12-6-2-3-7-12/h10,12H,2-9H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 3239194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).