N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine

C11H15N3 — CID 140621990

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine
SMILESC1=CC2CC1CC2CNc1ccn[nH]1
InChIInChI=1S/C11H15N3/c1-2-9-5-8(1)6-10(9)7-12-11-3-4-13-14-11/h1-4,8-10H,5-7H2,(H2,12,13,14)
InChIKeyNWLDZMHJBOZSPS-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.03
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine (PubChem CID 140621990) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine
PubChem CID140621990
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine
SMILESC1=CC2CC1CC2CNc1ccn[nH]1
InChIInChI=1S/C11H15N3/c1-2-9-5-8(1)6-10(9)7-12-11-3-4-13-14-11/h1-4,8-10H,5-7H2,(H2,12,13,14)
InChIKeyNWLDZMHJBOZSPS-UHFFFAOYSA-N
XLogP2.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine
CID 175825076
2-(2-Bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine
CID 67515873
N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazol-5-amine
CID 67515898
N-(2-bicyclo[2.2.1]heptanyl)-1H-pyrazol-5-amine
CID 67516769
N-(cyclohexylmethyl)-1H-pyrazol-5-amine
CID 123419213
N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane
CID 142876584
N-[(3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]-1H-pyrazol-5-amine
CID 177144127
N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-N'-(1H-pyrazol-5-yl)ethanediamide
CID 51049383
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(1H-pyrazol-5-yl)oxamide
CID 52210567
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(1H-pyrazol-5-yl)oxamide
CID 52210568
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine
CID 60808504
N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-1-methyl-1H-pyrazol-3-amine
CID 60810308

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine (CID 140621990) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine is C1=CC2CC1CC2CNc1ccn[nH]1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine?
The InChIKey is NWLDZMHJBOZSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-9-5-8(1)6-10(9)7-12-11-3-4-13-14-11/h1-4,8-10H,5-7H2,(H2,12,13,14).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 140621990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).