N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine

C17H28N4 — CID 60931578

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCC2CC3C=CC2C3)cn1
InChIInChI=1S/C17H28N4/c1-3-20(4-2)7-8-21-13-17(12-19-21)18-11-16-10-14-5-6-15(16)9-14/h5-6,12-16,18H,3-4,7-11H2,1-2H3
InChIKeyDCDSSHAZUWNJLR-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.85
Rot. Bonds8

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine (PubChem CID 60931578) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine
PubChem CID60931578
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCC2CC3C=CC2C3)cn1
InChIInChI=1S/C17H28N4/c1-3-20(4-2)7-8-21-13-17(12-19-21)18-11-16-10-14-5-6-15(16)9-14/h5-6,12-16,18H,3-4,7-11H2,1-2H3
InChIKeyDCDSSHAZUWNJLR-UHFFFAOYSA-N
XLogP2.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine
CID 62658494
1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 54866641
3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 115972346
1-[2-(diethylamino)ethyl]-N-(5-methylthiolan-3-yl)pyrazol-4-amine
CID 79949126
3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 81411037
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 43787087
1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine
CID 60938257
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
CID 98119288
1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine
CID 75415577
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61163094

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine (CID 60931578) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine is CCN(CC)CCn1cc(NCC2CC3C=CC2C3)cn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine?
The InChIKey is DCDSSHAZUWNJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-20(4-2)7-8-21-13-17(12-19-21)18-11-16-10-14-5-6-15(16)9-14/h5-6,12-16,18H,3-4,7-11H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine has a molecular weight of 288.44 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine is sourced from PubChem (CID 60931578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).