4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine

C16H22N4 — CID 117429368

IUPAC4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine
SMILESCN1CCCC(c2ccc(-c3cn[nH]c3N)cc2)CC1
InChIInChI=1S/C16H22N4/c1-20-9-2-3-12(8-10-20)13-4-6-14(7-5-13)15-11-18-19-16(15)17/h4-7,11-12H,2-3,8-10H2,1H3,(H3,17,18,19)
InChIKeySMANVMAXUDLYPL-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.86
Rot. Bonds2

About 4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine

4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117429368) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine
PubChem CID117429368
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine
SMILESCN1CCCC(c2ccc(-c3cn[nH]c3N)cc2)CC1
InChIInChI=1S/C16H22N4/c1-20-9-2-3-12(8-10-20)13-4-6-14(7-5-13)15-11-18-19-16(15)17/h4-7,11-12H,2-3,8-10H2,1H3,(H3,17,18,19)
InChIKeySMANVMAXUDLYPL-UHFFFAOYSA-N
XLogP2.86
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine (CID 117429368) is 4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine is CN1CCCC(c2ccc(-c3cn[nH]c3N)cc2)CC1.
What is the InChIKey of 4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is SMANVMAXUDLYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20-9-2-3-12(8-10-20)13-4-6-14(7-5-13)15-11-18-19-16(15)17/h4-7,11-12H,2-3,8-10H2,1H3,(H3,17,18,19).
What are the key properties of 4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine?
4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 270.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylazepan-4-yl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117429368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).