7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine

C13H12ClN5 — CID 86809014

IUPAC7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1[nH]ncc1CNc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C13H12ClN5/c1-8-9(6-18-19-8)5-15-13-11-3-2-10(14)4-12(11)16-7-17-13/h2-4,6-7H,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyPRBSZEITVQWTBY-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.93
Rot. Bonds3

About 7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine

7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine (PubChem CID 86809014) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
PubChem CID86809014
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1[nH]ncc1CNc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C13H12ClN5/c1-8-9(6-18-19-8)5-15-13-11-3-2-10(14)4-12(11)16-7-17-13/h2-4,6-7H,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyPRBSZEITVQWTBY-UHFFFAOYSA-N
XLogP2.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine (CID 86809014) is 7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine is Cc1[nH]ncc1CNc1ncnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine?
The InChIKey is PRBSZEITVQWTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-8-9(6-18-19-8)5-15-13-11-3-2-10(14)4-12(11)16-7-17-13/h2-4,6-7H,5H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine?
7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine has a molecular weight of 273.73 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 86809014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).