N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine

C10H19N3 — CID 60972648

IUPACN-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ccn[nH]1
InChIInChI=1S/C10H19N3/c1-4-5-8(2)12-9(3)10-6-7-11-13-10/h6-9,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyJEUNUQZHHHKOCZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.25
Rot. Bonds5

About N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine

N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine (PubChem CID 60972648) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine
PubChem CID60972648
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ccn[nH]1
InChIInChI=1S/C10H19N3/c1-4-5-8(2)12-9(3)10-6-7-11-13-10/h6-9,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyJEUNUQZHHHKOCZ-UHFFFAOYSA-N
XLogP2.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881889
ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate
CID 61498518
(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol
CID 79253582
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol
CID 106114233
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
2-ethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 60971934
(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81355261
(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol
CID 107862495
(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81388692
(1R)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81390762
N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 60973145

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine (CID 60972648) is N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1ccn[nH]1.
What is the InChIKey of N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine?
The InChIKey is JEUNUQZHHHKOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-5-8(2)12-9(3)10-6-7-11-13-10/h6-9,12H,4-5H2,1-3H3,(H,11,13).
What are the key properties of N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine?
N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 60972648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).