N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine

C11H21N3 — CID 62326528

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3/c1-5-8(2)12-7-6-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyHZQXXCCMXMFWQY-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.96
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine (PubChem CID 62326528) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
PubChem CID62326528
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3/c1-5-8(2)12-7-6-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyHZQXXCCMXMFWQY-UHFFFAOYSA-N
XLogP1.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine
CID 104868147
1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine
CID 113407491
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
CID 115718218
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine
CID 43645085
4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 131860379
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]but-3-yn-2-amine
CID 114415294
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine
CID 79219214
2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 47000292
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methylpentanoate
CID 43732460
1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43645070
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
CID 110747748

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine (CID 62326528) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine is CCC(C)NCCc1c(C)n[nH]c1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine?
The InChIKey is HZQXXCCMXMFWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-8(2)12-7-6-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 62326528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).