1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine

C16H32N4 — CID 83089584

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C16H32N4/c1-8-9-12(2)20(7)14(10-17)13-11-19(6)18-15(13)16(3,4)5/h11-12,14H,8-10,17H2,1-7H3
InChIKeyGHISZCMKGPDCPP-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.84
Rot. Bonds6

About 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine

1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine (PubChem CID 83089584) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
PubChem CID83089584
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C16H32N4/c1-8-9-12(2)20(7)14(10-17)13-11-19(6)18-15(13)16(3,4)5/h11-12,14H,8-10,17H2,1-7H3
InChIKeyGHISZCMKGPDCPP-UHFFFAOYSA-N
XLogP2.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
4-(1,4-dimethyl-1H-pyrazol-5-yl)piperidine
CID 82600316
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)-1-(1-methylcyclopentyl)methanamine hydrochloride
CID 146444800
1-(1-{1-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}ethyl)-4-methylpiperazine
CID 70750678
(1-{1-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}ethyl)dimethylamine
CID 70782560
[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 39869194
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 75480938
2H-Indazol-7-amine, 4,5,6,7-tetrahydro-2-(1-methylethyl)-
CID 75481911
2-(1,4-dimethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 82594064
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)-1-(1-methylcyclopentyl)methanamine dihydrochloride
CID 155973718

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine (CID 83089584) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine is CCCC(C)N(C)C(CN)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The InChIKey is GHISZCMKGPDCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-8-9-12(2)20(7)14(10-17)13-11-19(6)18-15(13)16(3,4)5/h11-12,14H,8-10,17H2,1-7H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 83089584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).