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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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).