N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

C18H19N5 — CID 167805230

IUPACN-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
SMILESc1ccc(Cc2nccc(NC3CCCc4[nH]ncc43)n2)cc1
InChIInChI=1S/C18H19N5/c1-2-5-13(6-3-1)11-18-19-10-9-17(22-18)21-15-7-4-8-16-14(15)12-20-23-16/h1-3,5-6,9-10,12,15H,4,7-8,11H2,(H,20,23)(H,19,21,22)
InChIKeyFOEBOEVOVIDRJM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.28
Rot. Bonds4

About N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine (PubChem CID 167805230) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine.

Molecular Properties

Compound NameN-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
PubChem CID167805230
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC NameN-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
SMILESc1ccc(Cc2nccc(NC3CCCc4[nH]ncc43)n2)cc1
InChIInChI=1S/C18H19N5/c1-2-5-13(6-3-1)11-18-19-10-9-17(22-18)21-15-7-4-8-16-14(15)12-20-23-16/h1-3,5-6,9-10,12,15H,4,7-8,11H2,(H,20,23)(H,19,21,22)
InChIKeyFOEBOEVOVIDRJM-UHFFFAOYSA-N
XLogP3.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine?
The IUPAC name of N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine (CID 167805230) is N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine.
What is the SMILES notation for N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine?
The canonical SMILES for N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine is c1ccc(Cc2nccc(NC3CCCc4[nH]ncc43)n2)cc1.
What is the InChIKey of N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine?
The InChIKey is FOEBOEVOVIDRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-5-13(6-3-1)11-18-19-10-9-17(22-18)21-15-7-4-8-16-14(15)12-20-23-16/h1-3,5-6,9-10,12,15H,4,7-8,11H2,(H,20,23)(H,19,21,22).
What are the key properties of N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine?
N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine has a molecular weight of 305.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine is sourced from PubChem (CID 167805230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).