1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C15H30N4 — CID 43645008

IUPAC1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNCc1c(C)n[nH]c1C)N(C)C
InChIInChI=1S/C15H30N4/c1-7-13(8-2)15(19(5)6)10-16-9-14-11(3)17-18-12(14)4/h13,15-16H,7-10H2,1-6H3,(H,17,18)
InChIKeySHXDMVMKJOHJPS-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.48
Rot. Bonds8

About 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 43645008) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID43645008
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNCc1c(C)n[nH]c1C)N(C)C
InChIInChI=1S/C15H30N4/c1-7-13(8-2)15(19(5)6)10-16-9-14-11(3)17-18-12(14)4/h13,15-16H,7-10H2,1-6H3,(H,17,18)
InChIKeySHXDMVMKJOHJPS-UHFFFAOYSA-N
XLogP2.48
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine with MolForge

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride
CID 6603359
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 645354
3-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine
CID 71307611
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 3136377
(3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate
CID 139060191
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 50979543
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716342
9-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-3,9-diazaspiro[5.6]dodecane
CID 74248039
3-[2-cyanoethyl-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanenitrile
CID 86816768
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-L-isoleucinamide
CID 90649673
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 95225503
(4S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethylazepan-4-amine
CID 99927891

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 43645008) is 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNCc1c(C)n[nH]c1C)N(C)C.
What is the InChIKey of 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is SHXDMVMKJOHJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-7-13(8-2)15(19(5)6)10-16-9-14-11(3)17-18-12(14)4/h13,15-16H,7-10H2,1-6H3,(H,17,18).
What are the key properties of 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 43645008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).