N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine

C10H19N3 — CID 786812

IUPACN-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCc1cc(CN(CC)CC)[nH]n1
InChIInChI=1S/C10H19N3/c1-4-9-7-10(12-11-9)8-13(5-2)6-3/h7H,4-6,8H2,1-3H3,(H,11,12)
InChIKeyWALKAYMHDQCIKO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.81
Rot. Bonds5

About N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine

N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine (PubChem CID 786812) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine
PubChem CID786812
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCc1cc(CN(CC)CC)[nH]n1
InChIInChI=1S/C10H19N3/c1-4-9-7-10(12-11-9)8-13(5-2)6-3/h7H,4-6,8H2,1-3H3,(H,11,12)
InChIKeyWALKAYMHDQCIKO-UHFFFAOYSA-N
XLogP1.81
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
3,5-diethyl-1H-pyrazole
CID 4306367
(3-ethyl-1H-pyrazol-5-yl)methanamine
CID 23006039
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
1-(5-Cyclopropyl-1H-pyrazol-3-YL)-N-methylmethanamine
CID 44236867
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
CID 3157457
(3-methyl-1H-pyrazol-5-yl)methanamine
CID 7446898
1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 5102523
1,4-dithiepan-6-yl(methyl)[(5-propyl-1H-pyrazol-3-yl)methyl]amine
CID 50955270
N-methyl-N-[(5-propyl-1H-pyrazol-3-yl)methyl]tetrahydro-2H-thiopyran-4-amine
CID 50974668
1-isobutyl-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
CID 56712928
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine (CID 786812) is N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine is CCc1cc(CN(CC)CC)[nH]n1.
What is the InChIKey of N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine?
The InChIKey is WALKAYMHDQCIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-9-7-10(12-11-9)8-13(5-2)6-3/h7H,4-6,8H2,1-3H3,(H,11,12).
What are the key properties of N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine?
N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 786812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).