N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine

C20H25N3 — CID 71605891

IUPACN-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine
SMILESc1cnn(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C20H25N3/c1-6-22-23(7-1)19-4-2-15(3-5-19)14-21-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-7,16-18,21H,8-14H2
InChIKeyDWSVTHAYXAXBBH-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.93
Rot. Bonds4

About N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine

N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine (PubChem CID 71605891) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine
PubChem CID71605891
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine
SMILESc1cnn(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C20H25N3/c1-6-22-23(7-1)19-4-2-15(3-5-19)14-21-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-7,16-18,21H,8-14H2
InChIKeyDWSVTHAYXAXBBH-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine?
The IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine (CID 71605891) is N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine is c1cnn(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1.
What is the InChIKey of N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine?
The InChIKey is DWSVTHAYXAXBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-6-22-23(7-1)19-4-2-15(3-5-19)14-21-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-7,16-18,21H,8-14H2.
What are the key properties of N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine?
N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazol-1-ylphenyl)methyl]adamantan-1-amine is sourced from PubChem (CID 71605891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).