N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide

C21H28N4O2 — CID 118304278

IUPACN-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide
SMILESCCn1cc(NC(=O)c2cccc(C3CC3NCC3CCOCC3)c2)cn1
InChIInChI=1S/C21H28N4O2/c1-2-25-14-18(13-23-25)24-21(26)17-5-3-4-16(10-17)19-11-20(19)22-12-15-6-8-27-9-7-15/h3-5,10,13-15,19-20,22H,2,6-9,11-12H2,1H3,(H,24,26)
InChIKeyMZFSUDPDVMMDBG-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.03
Rot. Bonds7

About N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide

N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide (PubChem CID 118304278) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide
PubChem CID118304278
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide
SMILESCCn1cc(NC(=O)c2cccc(C3CC3NCC3CCOCC3)c2)cn1
InChIInChI=1S/C21H28N4O2/c1-2-25-14-18(13-23-25)24-21(26)17-5-3-4-16(10-17)19-11-20(19)22-12-15-6-8-27-9-7-15/h3-5,10,13-15,19-20,22H,2,6-9,11-12H2,1H3,(H,24,26)
InChIKeyMZFSUDPDVMMDBG-UHFFFAOYSA-N
XLogP3.03
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide (CID 118304278) is N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide is CCn1cc(NC(=O)c2cccc(C3CC3NCC3CCOCC3)c2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
The InChIKey is MZFSUDPDVMMDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-25-14-18(13-23-25)24-21(26)17-5-3-4-16(10-17)19-11-20(19)22-12-15-6-8-27-9-7-15/h3-5,10,13-15,19-20,22H,2,6-9,11-12H2,1H3,(H,24,26).
What are the key properties of N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).