3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide

C17H21N5O — CID 71689682

IUPAC3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
SMILESCc1ncc2c(n1)CCCC2NC(=O)c1cc(C2CC2)nn1C
InChIInChI=1S/C17H21N5O/c1-10-18-9-12-13(19-10)4-3-5-14(12)20-17(23)16-8-15(11-6-7-11)21-22(16)2/h8-9,11,14H,3-7H2,1-2H3,(H,20,23)
InChIKeyOKLIQIUODNMAMY-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.20
Rot. Bonds3

About 3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide

3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide (PubChem CID 71689682) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
PubChem CID71689682
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
SMILESCc1ncc2c(n1)CCCC2NC(=O)c1cc(C2CC2)nn1C
InChIInChI=1S/C17H21N5O/c1-10-18-9-12-13(19-10)4-3-5-14(12)20-17(23)16-8-15(11-6-7-11)21-22(16)2/h8-9,11,14H,3-7H2,1-2H3,(H,20,23)
InChIKeyOKLIQIUODNMAMY-UHFFFAOYSA-N
XLogP2.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide
CID 56731428
1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide
CID 95384990
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
CID 95740668
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-2-carboxamide
CID 95740666
2-methyl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95740744
4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
CID 95740697
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide
CID 95740937
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide
CID 71689676
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71689668
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 164939962
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide (CID 71689682) is 3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide is Cc1ncc2c(n1)CCCC2NC(=O)c1cc(C2CC2)nn1C.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide?
The InChIKey is OKLIQIUODNMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-10-18-9-12-13(19-10)4-3-5-14(12)20-17(23)16-8-15(11-6-7-11)21-22(16)2/h8-9,11,14H,3-7H2,1-2H3,(H,20,23).
What are the key properties of 3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide?
3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 71689682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).