N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C13H24N4 — CID 175333762

IUPACN'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCC1CCC(c2[nH]ncc2CNCCN)CC1
InChIInChI=1S/C13H24N4/c1-10-2-4-11(5-3-10)13-12(9-16-17-13)8-15-7-6-14/h9-11,15H,2-8,14H2,1H3,(H,16,17)
InChIKeyKATXRRWMXFNYIY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.75
Rot. Bonds5

About N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 175333762) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID175333762
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCC1CCC(c2[nH]ncc2CNCCN)CC1
InChIInChI=1S/C13H24N4/c1-10-2-4-11(5-3-10)13-12(9-16-17-13)8-15-7-6-14/h9-11,15H,2-8,14H2,1H3,(H,16,17)
InChIKeyKATXRRWMXFNYIY-UHFFFAOYSA-N
XLogP1.75
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine
CID 90462880
Propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 14539719
2H-Indazol-5-amine, N-ethyl-4,5,6,7-tetrahydro-
CID 14539718
4-(3-methyl-1H-pyrazol-4-yl)piperidine
CID 82414450
Butyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 14539720
(5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 14539778
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 47331709
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 53506695
N,N-dimethyl-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 73439540
2-[4-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine
CID 96014510
1H-Cyclodecapyrazole, 4,5,6,7,8,10,11-octahydro-
CID 36705
N-methyl-4,5,6,7-tetrahydro-1H-indazol-4-amine hydrochloride
CID 155821040

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 175333762) is N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CC1CCC(c2[nH]ncc2CNCCN)CC1.
What is the InChIKey of N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is KATXRRWMXFNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-2-4-11(5-3-10)13-12(9-16-17-13)8-15-7-6-14/h9-11,15H,2-8,14H2,1H3,(H,16,17).
What are the key properties of N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 175333762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).