N-(2-pyrazol-1-ylethyl)pentan-1-amine

C10H19N3 — CID 61459569

IUPACN-(2-pyrazol-1-ylethyl)pentan-1-amine
SMILESCCCCCNCCn1cccn1
InChIInChI=1S/C10H19N3/c1-2-3-4-6-11-8-10-13-9-5-7-12-13/h5,7,9,11H,2-4,6,8,10H2,1H3
InChIKeyROGJPVDDHCTLHA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.66
Rot. Bonds7

About N-(2-pyrazol-1-ylethyl)pentan-1-amine

N-(2-pyrazol-1-ylethyl)pentan-1-amine (PubChem CID 61459569) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)pentan-1-amine
PubChem CID61459569
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(2-pyrazol-1-ylethyl)pentan-1-amine
SMILESCCCCCNCCn1cccn1
InChIInChI=1S/C10H19N3/c1-2-3-4-6-11-8-10-13-9-5-7-12-13/h5,7,9,11H,2-4,6,8,10H2,1H3
InChIKeyROGJPVDDHCTLHA-UHFFFAOYSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107319937
6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine
CID 107845447
1-pentylpyrazole;propane
CID 156859541
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 115612293
N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
CID 54951591
N-(2-pyrazol-1-ylethyl)but-2-yn-1-amine
CID 62312530
4-butyl-N-(2-pyrazol-1-ylethyl)aniline
CID 54962348
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 112684820

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)pentan-1-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)pentan-1-amine (CID 61459569) is N-(2-pyrazol-1-ylethyl)pentan-1-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)pentan-1-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)pentan-1-amine is CCCCCNCCn1cccn1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)pentan-1-amine?
The InChIKey is ROGJPVDDHCTLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-3-4-6-11-8-10-13-9-5-7-12-13/h5,7,9,11H,2-4,6,8,10H2,1H3.
What are the key properties of N-(2-pyrazol-1-ylethyl)pentan-1-amine?
N-(2-pyrazol-1-ylethyl)pentan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)pentan-1-amine is sourced from PubChem (CID 61459569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).