2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine

C14H26ClN3 — CID 106286036

IUPAC2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine
SMILESCCc1cc(CNCC(Cl)C(CC)CC)n(C)n1
InChIInChI=1S/C14H26ClN3/c1-5-11(6-2)14(15)10-16-9-13-8-12(7-3)17-18(13)4/h8,11,14,16H,5-7,9-10H2,1-4H3
InChIKeyNNVCTCNLUONELI-UHFFFAOYSA-N
MW271.84 g/mol
LogP3.12
Rot. Bonds8

About 2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine

2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine (PubChem CID 106286036) has the molecular formula C14H26ClN3 and a molecular weight of 271.84 g/mol. Its IUPAC name is 2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine
PubChem CID106286036
Molecular FormulaC14H26ClN3
Molecular Weight271.84 g/mol
Exact Mass271.18
IUPAC Name2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine
SMILESCCc1cc(CNCC(Cl)C(CC)CC)n(C)n1
InChIInChI=1S/C14H26ClN3/c1-5-11(6-2)14(15)10-16-9-13-8-12(7-3)17-18(13)4/h8,11,14,16H,5-7,9-10H2,1-4H3
InChIKeyNNVCTCNLUONELI-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine
CID 114004597
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 113294619
1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180368
1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236885
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-iodopentan-1-amine
CID 107320052
2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114097894
1-(3-ethyl-1-methylpyrazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106399467
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(thian-2-yl)methanamine
CID 80601177
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate
CID 83211873
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-4-amine
CID 83021388
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 114130531
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine
CID 106286304

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine?
The IUPAC name of 2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine (CID 106286036) is 2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine is CCc1cc(CNCC(Cl)C(CC)CC)n(C)n1.
What is the InChIKey of 2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine?
The InChIKey is NNVCTCNLUONELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3/c1-5-11(6-2)14(15)10-16-9-13-8-12(7-3)17-18(13)4/h8,11,14,16H,5-7,9-10H2,1-4H3.
What are the key properties of 2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine?
2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine has a molecular weight of 271.84 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine is sourced from PubChem (CID 106286036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).