2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine

C11H16ClN5 — CID 165474575

IUPAC2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nc(-c2ccnn2C)cc1Cl
InChIInChI=1S/C11H16ClN5/c1-15(2)6-7-17-11(12)8-9(14-17)10-4-5-13-16(10)3/h4-5,8H,6-7H2,1-3H3
InChIKeyWNIMBARWELJRFI-UHFFFAOYSA-N
MW253.74 g/mol
LogP1.50
Rot. Bonds4

About 2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine

2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 165474575) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID165474575
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nc(-c2ccnn2C)cc1Cl
InChIInChI=1S/C11H16ClN5/c1-15(2)6-7-17-11(12)8-9(14-17)10-4-5-13-16(10)3/h4-5,8H,6-7H2,1-3H3
InChIKeyWNIMBARWELJRFI-UHFFFAOYSA-N
XLogP1.50
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole
CID 165474574
2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine
CID 66022661
5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole
CID 165474654
3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole
CID 165474652
5-(3,4-dichlorophenyl)-1-methylpyrazole
CID 71232464
1-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)pyrazol-5-amine
CID 62687876
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 170535547
2,4-dimethyl-6-(2-methylpyrazol-3-yl)pyridine
CID 90367967
1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 62688040
2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 147180179
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine (CID 165474575) is 2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1nc(-c2ccnn2C)cc1Cl.
What is the InChIKey of 2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is WNIMBARWELJRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-15(2)6-7-17-11(12)8-9(14-17)10-4-5-13-16(10)3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 253.74 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 165474575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).