4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine

C15H16ClN5 — CID 80840723

IUPAC4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(-n2cc(Cl)c(C)n2)c2ccccc2n1
InChIInChI=1S/C15H16ClN5/c1-3-8-17-15-18-13-7-5-4-6-11(13)14(19-15)21-9-12(16)10(2)20-21/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyWJCQKMOQYWLKCS-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.60
Rot. Bonds4

About 4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine

4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine (PubChem CID 80840723) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine
PubChem CID80840723
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(-n2cc(Cl)c(C)n2)c2ccccc2n1
InChIInChI=1S/C15H16ClN5/c1-3-8-17-15-18-13-7-5-4-6-11(13)14(19-15)21-9-12(16)10(2)20-21/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyWJCQKMOQYWLKCS-UHFFFAOYSA-N
XLogP3.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine?
The IUPAC name of 4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine (CID 80840723) is 4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine.
What is the SMILES notation for 4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine?
The canonical SMILES for 4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine is CCCNc1nc(-n2cc(Cl)c(C)n2)c2ccccc2n1.
What is the InChIKey of 4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine?
The InChIKey is WJCQKMOQYWLKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-3-8-17-15-18-13-7-5-4-6-11(13)14(19-15)21-9-12(16)10(2)20-21/h4-7,9H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine?
4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine has a molecular weight of 301.78 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine is sourced from PubChem (CID 80840723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).