2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine

C10H18ClN3 — CID 66022661

IUPAC2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine
SMILESCCCc1cc(Cl)n(CCN(C)C)n1
InChIInChI=1S/C10H18ClN3/c1-4-5-9-8-10(11)14(12-9)7-6-13(2)3/h8H,4-7H2,1-3H3
InChIKeyMWMOWOIGKFUUCO-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.05
Rot. Bonds5

About 2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine

2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine (PubChem CID 66022661) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine
PubChem CID66022661
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine
SMILESCCCc1cc(Cl)n(CCN(C)C)n1
InChIInChI=1S/C10H18ClN3/c1-4-5-9-8-10(11)14(12-9)7-6-13(2)3/h8H,4-7H2,1-3H3
InChIKeyMWMOWOIGKFUUCO-UHFFFAOYSA-N
XLogP2.05
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 165474575
2-[4-(aminomethyl)-5-propylpyrazol-1-yl]-N,N-dimethylethanamine
CID 66441376
7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
CID 83702760
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025
(5-chloro-1-ethylpyrazol-3-yl)methanamine
CID 176508791
5-chloro-3-(chloromethyl)-1-ethylpyrazole
CID 12061630
1-butyl-5-chloro-3-methylpyrazole
CID 66021188
5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole
CID 66015518
N,N-dimethyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
CID 60982104
3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine
CID 66022243
5-chloro-1-(2-fluorophenyl)-3-propylpyrazole
CID 66020942
1-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine
CID 62687881

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine (CID 66022661) is 2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine is CCCc1cc(Cl)n(CCN(C)C)n1.
What is the InChIKey of 2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is MWMOWOIGKFUUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-4-5-9-8-10(11)14(12-9)7-6-13(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine?
2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 215.73 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 66022661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).