4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine

C15H21N5 — CID 143575059

IUPAC4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine
SMILESCC(c1nccc(-c2cn[nH]c2N)n1)C1CCCCC1
InChIInChI=1S/C15H21N5/c1-10(11-5-3-2-4-6-11)15-17-8-7-13(19-15)12-9-18-20-14(12)16/h7-11H,2-6H2,1H3,(H3,16,18,20)
InChIKeyVFVRQWFFLAFDIT-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.13
Rot. Bonds3

About 4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine

4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine (PubChem CID 143575059) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine
PubChem CID143575059
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine
SMILESCC(c1nccc(-c2cn[nH]c2N)n1)C1CCCCC1
InChIInChI=1S/C15H21N5/c1-10(11-5-3-2-4-6-11)15-17-8-7-13(19-15)12-9-18-20-14(12)16/h7-11H,2-6H2,1H3,(H3,16,18,20)
InChIKeyVFVRQWFFLAFDIT-UHFFFAOYSA-N
XLogP3.13
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine (CID 143575059) is 4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine is CC(c1nccc(-c2cn[nH]c2N)n1)C1CCCCC1.
What is the InChIKey of 4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine?
The InChIKey is VFVRQWFFLAFDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10(11-5-3-2-4-6-11)15-17-8-7-13(19-15)12-9-18-20-14(12)16/h7-11H,2-6H2,1H3,(H3,16,18,20).
What are the key properties of 4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine?
4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine has a molecular weight of 271.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 143575059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).