N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine

C17H21N3 — CID 61308815

IUPACN-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1cnn(Cc2ccc(NC3CC4CCC3C4)cc2)c1
InChIInChI=1S/C17H21N3/c1-8-18-20(9-1)12-13-3-6-16(7-4-13)19-17-11-14-2-5-15(17)10-14/h1,3-4,6-9,14-15,17,19H,2,5,10-12H2
InChIKeyUOHYLPIDQUSOLZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.53
Rot. Bonds4

About N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine

N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61308815) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61308815
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1cnn(Cc2ccc(NC3CC4CCC3C4)cc2)c1
InChIInChI=1S/C17H21N3/c1-8-18-20(9-1)12-13-3-6-16(7-4-13)19-17-11-14-2-5-15(17)10-14/h1,3-4,6-9,14-15,17,19H,2,5,10-12H2
InChIKeyUOHYLPIDQUSOLZ-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309349
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine
CID 102671179
3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
CID 79461364
N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
CID 104861739
4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106594322
N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine
CID 54863506
N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79859948
N-(2,2-dimethylcyclohexyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79834941
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081807
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 54595835

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine (CID 61308815) is N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine is c1cnn(Cc2ccc(NC3CC4CCC3C4)cc2)c1.
What is the InChIKey of N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is UOHYLPIDQUSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-8-18-20(9-1)12-13-3-6-16(7-4-13)19-17-11-14-2-5-15(17)10-14/h1,3-4,6-9,14-15,17,19H,2,5,10-12H2.
What are the key properties of N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine?
N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 3.53, 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-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61308815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).