N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide

C22H30N4O2 — CID 118305094

IUPACN-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESCC(C)(C)n1cc(NC(=O)c2cccc(C3CC3NC3CCOCC3)c2)cn1
InChIInChI=1S/C22H30N4O2/c1-22(2,3)26-14-18(13-23-26)25-21(27)16-6-4-5-15(11-16)19-12-20(19)24-17-7-9-28-10-8-17/h4-6,11,13-14,17,19-20,24H,7-10,12H2,1-3H3,(H,25,27)
InChIKeyUUSHUPUSZIIEKD-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.51
Rot. Bonds5

About N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide

N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide (PubChem CID 118305094) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
PubChem CID118305094
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESCC(C)(C)n1cc(NC(=O)c2cccc(C3CC3NC3CCOCC3)c2)cn1
InChIInChI=1S/C22H30N4O2/c1-22(2,3)26-14-18(13-23-26)25-21(27)16-6-4-5-15(11-16)19-12-20(19)24-17-7-9-28-10-8-17/h4-6,11,13-14,17,19-20,24H,7-10,12H2,1-3H3,(H,25,27)
InChIKeyUUSHUPUSZIIEKD-UHFFFAOYSA-N
XLogP3.51
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide 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-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide (CID 118305094) is N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide is CC(C)(C)n1cc(NC(=O)c2cccc(C3CC3NC3CCOCC3)c2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The InChIKey is UUSHUPUSZIIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-22(2,3)26-14-18(13-23-26)25-21(27)16-6-4-5-15(11-16)19-12-20(19)24-17-7-9-28-10-8-17/h4-6,11,13-14,17,19-20,24H,7-10,12H2,1-3H3,(H,25,27).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide has a molecular weight of 382.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118305094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).