N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine

C17H21N3 — CID 61309951

IUPACN-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1cc(-c2ccc(CNC3CC4CCC3C4)cc2)[nH]n1
InChIInChI=1S/C17H21N3/c1-4-14(16-7-8-19-20-16)5-2-12(1)11-18-17-10-13-3-6-15(17)9-13/h1-2,4-5,7-8,13,15,17-18H,3,6,9-11H2,(H,19,20)
InChIKeyKPQWPUFDBKBOIT-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.35
Rot. Bonds4

About N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine

N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61309951) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61309951
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1cc(-c2ccc(CNC3CC4CCC3C4)cc2)[nH]n1
InChIInChI=1S/C17H21N3/c1-4-14(16-7-8-19-20-16)5-2-12(1)11-18-17-10-13-3-6-15(17)9-13/h1-2,4-5,7-8,13,15,17-18H,3,6,9-11H2,(H,19,20)
InChIKeyKPQWPUFDBKBOIT-UHFFFAOYSA-N
XLogP3.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiourea
CID 98890356
2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiolan-3-amine
CID 102672179
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiolan-3-amine
CID 61240401
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77045520
3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione
CID 61240020
(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 98119416
2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid
CID 103254735
N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463
4-hydroxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61240025

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine (CID 61309951) is N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine is c1cc(-c2ccc(CNC3CC4CCC3C4)cc2)[nH]n1.
What is the InChIKey of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is KPQWPUFDBKBOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-4-14(16-7-8-19-20-16)5-2-12(1)11-18-17-10-13-3-6-15(17)9-13/h1-2,4-5,7-8,13,15,17-18H,3,6,9-11H2,(H,19,20).
What are the key properties of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine?
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).