1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine

C14H26ClN3 — CID 105040502

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1c(Cl)cnn1CC
InChIInChI=1S/C14H26ClN3/c1-5-8-11(9-6-2)13(16-4)14-12(15)10-17-18(14)7-3/h10-11,13,16H,5-9H2,1-4H3
InChIKeyQTUPRUAWQIQZGN-UHFFFAOYSA-N
MW271.84 g/mol
LogP4.03
Rot. Bonds8

About 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine

1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine (PubChem CID 105040502) has the molecular formula C14H26ClN3 and a molecular weight of 271.84 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
PubChem CID105040502
Molecular FormulaC14H26ClN3
Molecular Weight271.84 g/mol
Exact Mass271.18
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1c(Cl)cnn1CC
InChIInChI=1S/C14H26ClN3/c1-5-8-11(9-6-2)13(16-4)14-12(15)10-17-18(14)7-3/h10-11,13,16H,5-9H2,1-4H3
InChIKeyQTUPRUAWQIQZGN-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 105040619
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine
CID 105054531
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
1-(4-chloro-1-ethylpyrazol-5-yl)-3-ethoxy-N-methylpropan-1-amine
CID 105183166
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699
1-(4-chloro-1-ethylpyrazol-5-yl)-3,3-dimethylbutane-1,2-diol
CID 103457095
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 114649702
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 114656801

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine (CID 105040502) is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine is CCCC(CCC)C(NC)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine?
The InChIKey is QTUPRUAWQIQZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3/c1-5-8-11(9-6-2)13(16-4)14-12(15)10-17-18(14)7-3/h10-11,13,16H,5-9H2,1-4H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine?
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine has a molecular weight of 271.84 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 105040502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).