N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine

C16H21N3 — CID 43745342

IUPACN-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine
SMILESc1cc(NC2CCCCCC2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H21N3/c1-2-4-8-14(7-3-1)18-15-9-5-6-13(12-15)16-10-11-17-19-16/h5-6,9-12,14,18H,1-4,7-8H2,(H,17,19)
InChIKeyADYRWZQOCIQLOZ-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.21
Rot. Bonds3

About N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine

N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine (PubChem CID 43745342) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine
PubChem CID43745342
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine
SMILESc1cc(NC2CCCCCC2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H21N3/c1-2-4-8-14(7-3-1)18-15-9-5-6-13(12-15)16-10-11-17-19-16/h5-6,9-12,14,18H,1-4,7-8H2,(H,17,19)
InChIKeyADYRWZQOCIQLOZ-UHFFFAOYSA-N
XLogP4.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]azepan-4-amine
CID 65070382
1-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43745344
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
CID 79730682
N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline
CID 80705471
N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline
CID 79834530
1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43790946
N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline
CID 64762657
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
CID 81466627
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-2-carboxamide
CID 64563413
N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine
CID 43732033
N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline
CID 80554258

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine?
The IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine (CID 43745342) is N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine.
What is the SMILES notation for N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine?
The canonical SMILES for N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine is c1cc(NC2CCCCCC2)cc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine?
The InChIKey is ADYRWZQOCIQLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-4-8-14(7-3-1)18-15-9-5-6-13(12-15)16-10-11-17-19-16/h5-6,9-12,14,18H,1-4,7-8H2,(H,17,19).
What are the key properties of N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine?
N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine has a molecular weight of 255.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-yl)phenyl]cycloheptanamine is sourced from PubChem (CID 43745342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).