N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine

C14H15N5 — CID 86768011

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1n[nH]c(C)c1CNc1ncnc2ccccc12
InChIInChI=1S/C14H15N5/c1-9-12(10(2)19-18-9)7-15-14-11-5-3-4-6-13(11)16-8-17-14/h3-6,8H,7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyPAAXZOKAKJVTTF-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.58
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine (PubChem CID 86768011) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
PubChem CID86768011
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1n[nH]c(C)c1CNc1ncnc2ccccc12
InChIInChI=1S/C14H15N5/c1-9-12(10(2)19-18-9)7-15-14-11-5-3-4-6-13(11)16-8-17-14/h3-6,8H,7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyPAAXZOKAKJVTTF-UHFFFAOYSA-N
XLogP2.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine (CID 86768011) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine is Cc1n[nH]c(C)c1CNc1ncnc2ccccc12.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine?
The InChIKey is PAAXZOKAKJVTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-12(10(2)19-18-9)7-15-14-11-5-3-4-6-13(11)16-8-17-14/h3-6,8H,7H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 86768011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).