2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine

C13H25N3 — CID 105481356

IUPAC2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
SMILESCCCc1c(CCNC)cnn1C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-7-12-11(8-9-14-5)10-15-16(12)13(2,3)4/h10,14H,6-9H2,1-5H3
InChIKeyCULTVYPKEVQRAE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.35
Rot. Bonds5

About 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine

2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine (PubChem CID 105481356) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
PubChem CID105481356
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
SMILESCCCc1c(CCNC)cnn1C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-7-12-11(8-9-14-5)10-15-16(12)13(2,3)4/h10,14H,6-9H2,1-5H3
InChIKeyCULTVYPKEVQRAE-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
CID 105481359
2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
CID 84770611
N-methyl-3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine
CID 105481361
2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 83831083
1-tert-butyl-4-ethylpyrazol-5-amine
CID 68938283
N-methyl-2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)ethanamine
CID 83829318
2-[5-bromo-1-(4-methylphenyl)pyrazol-4-yl]-N-methylethanamine
CID 115053251
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine
CID 83828545
(1-tert-butyl-5-methoxypyrazol-4-yl)methanamine
CID 115069152
(5-bromo-1-tert-butylpyrazol-4-yl)methanol
CID 67491360
4-(aminomethyl)-1-tert-butylpyrazol-5-amine
CID 115069508

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine (CID 105481356) is 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine is CCCc1c(CCNC)cnn1C(C)(C)C.
What is the InChIKey of 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is CULTVYPKEVQRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-7-12-11(8-9-14-5)10-15-16(12)13(2,3)4/h10,14H,6-9H2,1-5H3.
What are the key properties of 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine?
2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 105481356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).