N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine

C13H25N3 — CID 82698359

IUPACN-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCc1nn(CC)c(CC)c1CNC(C)C
InChIInChI=1S/C13H25N3/c1-6-12-11(9-14-10(4)5)13(7-2)16(8-3)15-12/h10,14H,6-9H2,1-5H3
InChIKeyFSBLJUZZMFOGPP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.53
Rot. Bonds6

About N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine

N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 82698359) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID82698359
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCc1nn(CC)c(CC)c1CNC(C)C
InChIInChI=1S/C13H25N3/c1-6-12-11(9-14-10(4)5)13(7-2)16(8-3)15-12/h10,14H,6-9H2,1-5H3
InChIKeyFSBLJUZZMFOGPP-UHFFFAOYSA-N
XLogP2.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 106457431
1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine
CID 82698238
N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine
CID 107431144
N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82698283
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 82696836
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662
N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82700478
N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024898
N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82924251
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 113494675
N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 82700032

Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine (CID 82698359) is N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine is CCc1nn(CC)c(CC)c1CNC(C)C.
What is the InChIKey of N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is FSBLJUZZMFOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-12-11(9-14-10(4)5)13(7-2)16(8-3)15-12/h10,14H,6-9H2,1-5H3.
What are the key properties of N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 82698359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).