N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine

C18H23N5O — CID 71857427

IUPACN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine
SMILESCC(Nc1ccn(Cc2ccccn2)n1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C18H23N5O/c1-13(17-20-11-15(24-17)18(2,3)4)21-16-8-10-23(22-16)12-14-7-5-6-9-19-14/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyYOYBUPZQNVSZPK-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.79
Rot. Bonds5

About N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine

N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine (PubChem CID 71857427) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine
PubChem CID71857427
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine
SMILESCC(Nc1ccn(Cc2ccccn2)n1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C18H23N5O/c1-13(17-20-11-15(24-17)18(2,3)4)21-16-8-10-23(22-16)12-14-7-5-6-9-19-14/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyYOYBUPZQNVSZPK-UHFFFAOYSA-N
XLogP3.79
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine 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

N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]oxamide
CID 166218424
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71984854
(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98730671
2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52817236
(3S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94811681
4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 161037055
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 52536233

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine (CID 71857427) is N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine is CC(Nc1ccn(Cc2ccccn2)n1)c1ncc(C(C)(C)C)o1.
What is the InChIKey of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine?
The InChIKey is YOYBUPZQNVSZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13(17-20-11-15(24-17)18(2,3)4)21-16-8-10-23(22-16)12-14-7-5-6-9-19-14/h5-11,13H,12H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine?
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine has a molecular weight of 325.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 71857427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).