1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine

C11H19N3 — CID 43645070

IUPAC1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1n[nH]c(C)c1CNC(C)C1CC1
InChIInChI=1S/C11H19N3/c1-7(10-4-5-10)12-6-11-8(2)13-14-9(11)3/h7,10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyNENXLGWTNJXRQQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.91
Rot. Bonds4

About 1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine

1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 43645070) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID43645070
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1n[nH]c(C)c1CNC(C)C1CC1
InChIInChI=1S/C11H19N3/c1-7(10-4-5-10)12-6-11-8(2)13-14-9(11)3/h7,10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyNENXLGWTNJXRQQ-UHFFFAOYSA-N
XLogP1.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 650797
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CID 572718
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
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 3136377
(3,5-dimethyl-1H-pyrazol-4-yl)methanamine dihydrochloride
CID 45075089
2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
CID 71695369
(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
3-[2-cyanoethyl-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanenitrile
CID 86816768
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 95225503

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 43645070) is 1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine is Cc1n[nH]c(C)c1CNC(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is NENXLGWTNJXRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7(10-4-5-10)12-6-11-8(2)13-14-9(11)3/h7,10,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine?
1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43645070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).