N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine

C18H21N5 — CID 11848809

IUPACN-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine
SMILESCc1cc(C)n(-c2nc(NC3CCCC3)c3ccccc3n2)n1
InChIInChI=1S/C18H21N5/c1-12-11-13(2)23(22-12)18-20-16-10-6-5-9-15(16)17(21-18)19-14-7-3-4-8-14/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,19,20,21)
InChIKeyDKJFZUFVQZQPRB-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.79
Rot. Bonds3

About N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine

N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine (PubChem CID 11848809) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine
PubChem CID11848809
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine
SMILESCc1cc(C)n(-c2nc(NC3CCCC3)c3ccccc3n2)n1
InChIInChI=1S/C18H21N5/c1-12-11-13(2)23(22-12)18-20-16-10-6-5-9-15(16)17(21-18)19-14-7-3-4-8-14/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,19,20,21)
InChIKeyDKJFZUFVQZQPRB-UHFFFAOYSA-N
XLogP3.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine?
The IUPAC name of N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine (CID 11848809) is N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine?
The canonical SMILES for N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine is Cc1cc(C)n(-c2nc(NC3CCCC3)c3ccccc3n2)n1.
What is the InChIKey of N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine?
The InChIKey is DKJFZUFVQZQPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-12-11-13(2)23(22-12)18-20-16-10-6-5-9-15(16)17(21-18)19-14-7-3-4-8-14/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine?
N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)quinazolin-4-amine is sourced from PubChem (CID 11848809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).