N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine

C14H11Cl2N5 — CID 86613153

IUPACN-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
SMILESClc1ncc(Cl)c(Nc2cc(Cc3ccccc3)[nH]n2)n1
InChIInChI=1S/C14H11Cl2N5/c15-11-8-17-14(16)19-13(11)18-12-7-10(20-21-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,17,18,19,20,21)
InChIKeyQAVCDWMNRSFFSK-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.84
Rot. Bonds4

About N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine

N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine (PubChem CID 86613153) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
PubChem CID86613153
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC NameN-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
SMILESClc1ncc(Cl)c(Nc2cc(Cc3ccccc3)[nH]n2)n1
InChIInChI=1S/C14H11Cl2N5/c15-11-8-17-14(16)19-13(11)18-12-7-10(20-21-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,17,18,19,20,21)
InChIKeyQAVCDWMNRSFFSK-UHFFFAOYSA-N
XLogP3.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine?
The IUPAC name of N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine (CID 86613153) is N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine.
What is the SMILES notation for N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine?
The canonical SMILES for N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine is Clc1ncc(Cl)c(Nc2cc(Cc3ccccc3)[nH]n2)n1.
What is the InChIKey of N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine?
The InChIKey is QAVCDWMNRSFFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c15-11-8-17-14(16)19-13(11)18-12-7-10(20-21-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,17,18,19,20,21).
What are the key properties of N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine?
N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine has a molecular weight of 320.18 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine is sourced from PubChem (CID 86613153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).