2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine

C12H23N3 — CID 155403634

IUPAC2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(CC(C)(C)C)cn1
InChIInChI=1S/C12H23N3/c1-12(2,3)8-11-9-13-15(10-11)7-6-14(4)5/h9-10H,6-8H2,1-5H3
InChIKeyWYWHNDQQNUBDKJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.03
Rot. Bonds4

About 2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 155403634) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID155403634
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(CC(C)(C)C)cn1
InChIInChI=1S/C12H23N3/c1-12(2,3)8-11-9-13-15(10-11)7-6-14(4)5/h9-10H,6-8H2,1-5H3
InChIKeyWYWHNDQQNUBDKJ-UHFFFAOYSA-N
XLogP2.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,5-dimethylhexyl)-4-(2,2-dimethylpropyl)pyrazole
CID 158565632
4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole
CID 59479881
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine
CID 59186257
2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine
CID 134518076
N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62769889
2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine
CID 125498931
2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride
CID 161483819
2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 170535547
1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine
CID 142144905
1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90931320
3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 95744342
2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
CID 62725691

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine (CID 155403634) is 2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(CC(C)(C)C)cn1.
What is the InChIKey of 2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is WYWHNDQQNUBDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,3)8-11-9-13-15(10-11)7-6-14(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 209.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 155403634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).