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

C30H30N6O — CID 45167542

IUPACN-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C30H30N6O/c37-29(33-24-14-15-35(19-24)18-20-6-2-1-3-7-20)26-17-32-36(28(26)22-11-12-22)30-31-16-23-13-10-21-8-4-5-9-25(21)27(23)34-30/h1-9,16-17,22,24H,10-15,18-19H2,(H,33,37)
InChIKeySRCOZNFLMMWACR-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.31
Rot. Bonds6

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

N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide (PubChem CID 45167542) has the molecular formula C30H30N6O and a molecular weight of 490.61 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
PubChem CID45167542
Molecular FormulaC30H30N6O
Molecular Weight490.61 g/mol
Exact Mass490.25
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C30H30N6O/c37-29(33-24-14-15-35(19-24)18-20-6-2-1-3-7-20)26-17-32-36(28(26)22-11-12-22)30-31-16-23-13-10-21-8-4-5-9-25(21)27(23)34-30/h1-9,16-17,22,24H,10-15,18-19H2,(H,33,37)
InChIKeySRCOZNFLMMWACR-UHFFFAOYSA-N
XLogP4.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide (CID 45167542) is N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
The InChIKey is SRCOZNFLMMWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O/c37-29(33-24-14-15-35(19-24)18-20-6-2-1-3-7-20)26-17-32-36(28(26)22-11-12-22)30-31-16-23-13-10-21-8-4-5-9-25(21)27(23)34-30/h1-9,16-17,22,24H,10-15,18-19H2,(H,33,37).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 45167542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).