5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide

C24H25N5O2 — CID 45173447

IUPAC5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1)C1CCOC1
InChIInChI=1S/C24H25N5O2/c1-28(18-10-11-31-14-18)23(30)20-13-26-29(22(20)16-7-8-16)24-25-12-17-9-6-15-4-2-3-5-19(15)21(17)27-24/h2-5,12-13,16,18H,6-11,14H2,1H3
InChIKeyCQULKLMISSGWMN-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.17
Rot. Bonds4

About 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 45173447) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID45173447
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1)C1CCOC1
InChIInChI=1S/C24H25N5O2/c1-28(18-10-11-31-14-18)23(30)20-13-26-29(22(20)16-7-8-16)24-25-12-17-9-6-15-4-2-3-5-19(15)21(17)27-24/h2-5,12-13,16,18H,6-11,14H2,1H3
InChIKeyCQULKLMISSGWMN-UHFFFAOYSA-N
XLogP3.17
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide (CID 45173447) is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide is CN(C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1)C1CCOC1.
What is the InChIKey of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is CQULKLMISSGWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28(18-10-11-31-14-18)23(30)20-13-26-29(22(20)16-7-8-16)24-25-12-17-9-6-15-4-2-3-5-19(15)21(17)27-24/h2-5,12-13,16,18H,6-11,14H2,1H3.
What are the key properties of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 45173447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).