5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine

C15H24N4 — CID 123452941

IUPAC5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine
SMILESCCc1c(N(C)C)n[nH]c1NCCC1=CCCC=C1
InChIInChI=1S/C15H24N4/c1-4-13-14(17-18-15(13)19(2)3)16-11-10-12-8-6-5-7-9-12/h6,8-9H,4-5,7,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyMUIWTYLMVMBBOQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.12
Rot. Bonds6

About 5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine

5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine (PubChem CID 123452941) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine
PubChem CID123452941
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine
SMILESCCc1c(N(C)C)n[nH]c1NCCC1=CCCC=C1
InChIInChI=1S/C15H24N4/c1-4-13-14(17-18-15(13)19(2)3)16-11-10-12-8-6-5-7-9-12/h6,8-9H,4-5,7,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyMUIWTYLMVMBBOQ-UHFFFAOYSA-N
XLogP3.12
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine
CID 71277750
2-(4,7-dihydro-1H-pyrazolo[5,4-b]pyridin-6-yl)-N-methylethanamine
CID 141082771
5-amino-3-[(3-iodocyclohexa-1,5-dien-1-yl)methylamino]-1H-pyrazole-4-carbonitrile
CID 163875431
6-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyl-1,2-dihydropyridin-4-amine
CID 163983015
4-N,7-diethyl-2,6-dihydropyrazolo[3,4-b]pyridine-3,4,6-triamine
CID 433481

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
The IUPAC name of 5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine (CID 123452941) is 5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
The canonical SMILES for 5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine is CCc1c(N(C)C)n[nH]c1NCCC1=CCCC=C1.
What is the InChIKey of 5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
The InChIKey is MUIWTYLMVMBBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-13-14(17-18-15(13)19(2)3)16-11-10-12-8-6-5-7-9-12/h6,8-9H,4-5,7,10-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine has a molecular weight of 260.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyclohexa-1,5-dien-1-ylethyl)-4-ethyl-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 123452941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).