N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide

C22H25N3O3 — CID 19410953

IUPACN-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
SMILESCOCn1cc(NC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cn1
InChIInChI=1S/C22H25N3O3/c1-16(2)18-7-9-21(10-8-18)28-14-17-5-4-6-19(11-17)22(26)24-20-12-23-25(13-20)15-27-3/h4-13,16H,14-15H2,1-3H3,(H,24,26)
InChIKeyBBSRTPCMPMRSPW-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.44
Rot. Bonds8

About N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide

N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide (PubChem CID 19410953) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
PubChem CID19410953
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
SMILESCOCn1cc(NC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cn1
InChIInChI=1S/C22H25N3O3/c1-16(2)18-7-9-21(10-8-18)28-14-17-5-4-6-19(11-17)22(26)24-20-12-23-25(13-20)15-27-3/h4-13,16H,14-15H2,1-3H3,(H,24,26)
InChIKeyBBSRTPCMPMRSPW-UHFFFAOYSA-N
XLogP4.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19336423
3-[(2,4-dimethylphenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411053
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408634
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19408700
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19290598
3-[(4-ethoxyphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410156
3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
CID 19403863
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19404861
3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401679
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410971
3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338210
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
The IUPAC name of N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide (CID 19410953) is N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
The canonical SMILES for N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide is COCn1cc(NC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cn1.
What is the InChIKey of N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
The InChIKey is BBSRTPCMPMRSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(2)18-7-9-21(10-8-18)28-14-17-5-4-6-19(11-17)22(26)24-20-12-23-25(13-20)15-27-3/h4-13,16H,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide is sourced from PubChem (CID 19410953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).