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

C13H25N3 — CID 105481359

IUPAC1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
SMILESCCCc1c(C(C)NC)cnn1C(C)(C)C
InChIInChI=1S/C13H25N3/c1-7-8-12-11(10(2)14-6)9-15-16(12)13(3,4)5/h9-10,14H,7-8H2,1-6H3
InChIKeyCEMKXNFTQLFMTA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds4

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

1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine (PubChem CID 105481359) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
PubChem CID105481359
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
SMILESCCCc1c(C(C)NC)cnn1C(C)(C)C
InChIInChI=1S/C13H25N3/c1-7-8-12-11(10(2)14-6)9-15-16(12)13(3,4)5/h9-10,14H,7-8H2,1-6H3
InChIKeyCEMKXNFTQLFMTA-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine (CID 105481359) is 1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine is CCCc1c(C(C)NC)cnn1C(C)(C)C.
What is the InChIKey of 1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is CEMKXNFTQLFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-7-8-12-11(10(2)14-6)9-15-16(12)13(3,4)5/h9-10,14H,7-8H2,1-6H3.
What are the key properties of 1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine?
1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 105481359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).