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

C15H18N4O — CID 3245570

IUPACN-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1c2c(nc3c(C(=O)NC4CC4)cnn13)CCCC2
InChIInChI=1S/C15H18N4O/c1-9-11-4-2-3-5-13(11)18-14-12(8-16-19(9)14)15(20)17-10-6-7-10/h8,10H,2-7H2,1H3,(H,17,20)
InChIKeyNZCMKJKSUVBZTN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.81
Rot. Bonds2

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

N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide (PubChem CID 3245570) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
PubChem CID3245570
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1c2c(nc3c(C(=O)NC4CC4)cnn13)CCCC2
InChIInChI=1S/C15H18N4O/c1-9-11-4-2-3-5-13(11)18-14-12(8-16-19(9)14)15(20)17-10-6-7-10/h8,10H,2-7H2,1H3,(H,17,20)
InChIKeyNZCMKJKSUVBZTN-UHFFFAOYSA-N
XLogP1.81
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide (CID 3245570) is N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide is Cc1c2c(nc3c(C(=O)NC4CC4)cnn13)CCCC2.
What is the InChIKey of N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The InChIKey is NZCMKJKSUVBZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-11-4-2-3-5-13(11)18-14-12(8-16-19(9)14)15(20)17-10-6-7-10/h8,10H,2-7H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 3245570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).