N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine

C14H23N5O — CID 75384478

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2cn[nH]c2C(C)(C)C)cn1
InChIInChI=1S/C14H23N5O/c1-14(2,3)13-11(8-16-18-13)7-15-12-9-17-19(10-12)5-6-20-4/h8-10,15H,5-7H2,1-4H3,(H,16,18)
InChIKeyJFEPOSSCESRHRV-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.16
Rot. Bonds6

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 75384478) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID75384478
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2cn[nH]c2C(C)(C)C)cn1
InChIInChI=1S/C14H23N5O/c1-14(2,3)13-11(8-16-18-13)7-15-12-9-17-19(10-12)5-6-20-4/h8-10,15H,5-7H2,1-4H3,(H,16,18)
InChIKeyJFEPOSSCESRHRV-UHFFFAOYSA-N
XLogP2.16
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 75384478) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NCc2cn[nH]c2C(C)(C)C)cn1.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is JFEPOSSCESRHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-14(2,3)13-11(8-16-18-13)7-15-12-9-17-19(10-12)5-6-20-4/h8-10,15H,5-7H2,1-4H3,(H,16,18).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 277.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 75384478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).