1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine

C10H18ClN3 — CID 114664248

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine
SMILESCCC(CCc1c(Cl)cnn1C)NC
InChIInChI=1S/C10H18ClN3/c1-4-8(12-2)5-6-10-9(11)7-13-14(10)3/h7-8,12H,4-6H2,1-3H3
InChIKeyFATFEZCHGIBZPY-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.00
Rot. Bonds5

About 1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine

1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine (PubChem CID 114664248) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine
PubChem CID114664248
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine
SMILESCCC(CCc1c(Cl)cnn1C)NC
InChIInChI=1S/C10H18ClN3/c1-4-8(12-2)5-6-10-9(11)7-13-14(10)3/h7-8,12H,4-6H2,1-3H3
InChIKeyFATFEZCHGIBZPY-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine (CID 114664248) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine is CCC(CCc1c(Cl)cnn1C)NC.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine?
The InChIKey is FATFEZCHGIBZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-4-8(12-2)5-6-10-9(11)7-13-14(10)3/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine has a molecular weight of 215.73 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine is sourced from PubChem (CID 114664248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).