N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine

C18H25N3 — CID 62769581

IUPACN-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine
SMILESc1ccc(-c2cnn(CCNC3CCCCCC3)c2)cc1
InChIInChI=1S/C18H25N3/c1-2-7-11-18(10-6-1)19-12-13-21-15-17(14-20-21)16-8-4-3-5-9-16/h3-5,8-9,14-15,18-19H,1-2,6-7,10-13H2
InChIKeyLTQIOTWWRLCTIG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.86
Rot. Bonds5

About N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine

N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine (PubChem CID 62769581) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine
PubChem CID62769581
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine
SMILESc1ccc(-c2cnn(CCNC3CCCCCC3)c2)cc1
InChIInChI=1S/C18H25N3/c1-2-7-11-18(10-6-1)19-12-13-21-15-17(14-20-21)16-8-4-3-5-9-16/h3-5,8-9,14-15,18-19H,1-2,6-7,10-13H2
InChIKeyLTQIOTWWRLCTIG-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole
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N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62769889
4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
CID 55113250
2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
CID 62771007
3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine
CID 79598709
oxalic acid;1-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
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CID 121020143

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine (CID 62769581) is N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine is c1ccc(-c2cnn(CCNC3CCCCCC3)c2)cc1.
What is the InChIKey of N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine?
The InChIKey is LTQIOTWWRLCTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-7-11-18(10-6-1)19-12-13-21-15-17(14-20-21)16-8-4-3-5-9-16/h3-5,8-9,14-15,18-19H,1-2,6-7,10-13H2.
What are the key properties of N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine?
N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine has a molecular weight of 283.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 62769581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).