2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide

C20H21N5O — CID 56731428

IUPAC2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3nc(-c4ccccc4)ncc32)n(C)n1
InChIInChI=1S/C20H21N5O/c1-13-11-18(25(2)24-13)20(26)23-17-10-6-9-16-15(17)12-21-19(22-16)14-7-4-3-5-8-14/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,23,26)
InChIKeyFBDIIVJAHGGBGU-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.99
Rot. Bonds3

About 2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide

2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide (PubChem CID 56731428) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide
PubChem CID56731428
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3nc(-c4ccccc4)ncc32)n(C)n1
InChIInChI=1S/C20H21N5O/c1-13-11-18(25(2)24-13)20(26)23-17-10-6-9-16-15(17)12-21-19(22-16)14-7-4-3-5-8-14/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,23,26)
InChIKeyFBDIIVJAHGGBGU-UHFFFAOYSA-N
XLogP2.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide
CID 95384907
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 45214726
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
CID 95384867
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]but-2-ynamide
CID 26404996
3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
CID 25454443
3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
CID 71689682
2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97127538
2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 25453314
3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 72860377
2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 45251959
(2R)-2-phenyl-N-[(5S)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582688

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide (CID 56731428) is 2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCc3nc(-c4ccccc4)ncc32)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide?
The InChIKey is FBDIIVJAHGGBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-11-18(25(2)24-13)20(26)23-17-10-6-9-16-15(17)12-21-19(22-16)14-7-4-3-5-8-14/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,23,26).
What are the key properties of 2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 56731428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).