N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide

C31H33N3O4 — CID 83282617

IUPACN-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide
SMILESCCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1CN(CC1CC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C31H33N3O4/c1-4-29-28(21-33(20-22-16-17-22)30(35)23-10-8-13-25(18-23)36-2)31(34(32-29)24-11-6-5-7-12-24)38-27-15-9-14-26(19-27)37-3/h5-15,18-19,22H,4,16-17,20-21H2,1-3H3
InChIKeyLNNWERSRERUHKN-UHFFFAOYSA-N
MW511.62 g/mol
LogP6.30
Rot. Bonds11

About N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide

N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide (PubChem CID 83282617) has the molecular formula C31H33N3O4 and a molecular weight of 511.62 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide
PubChem CID83282617
Molecular FormulaC31H33N3O4
Molecular Weight511.62 g/mol
Exact Mass511.25
IUPAC NameN-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide
SMILESCCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1CN(CC1CC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C31H33N3O4/c1-4-29-28(21-33(20-22-16-17-22)30(35)23-10-8-13-25(18-23)36-2)31(34(32-29)24-11-6-5-7-12-24)38-27-15-9-14-26(19-27)37-3/h5-15,18-19,22H,4,16-17,20-21H2,1-3H3
InChIKeyLNNWERSRERUHKN-UHFFFAOYSA-N
XLogP6.30
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide with MolForge

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Related Compounds

2-[cyclopropylmethyl-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol
CID 42843064
N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 71956977
1-[cyclopropylmethyl-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol
CID 46025642
(2S)-1-[cyclopropylmethyl-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol
CID 93217607
N-(cyclopropylmethyl)-4-fluoro-N-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069135
N-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl]-3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93135677
N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(cyclopropylmethyl)benzamide
CID 51069552
N-(cyclopropylmethyl)-2-fluoro-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]benzamide
CID 51068520
N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 93136337
N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 51068682
N-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 93135855
N-[[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93135883

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide (CID 83282617) is N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide is CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1CN(CC1CC1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide?
The InChIKey is LNNWERSRERUHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O4/c1-4-29-28(21-33(20-22-16-17-22)30(35)23-10-8-13-25(18-23)36-2)31(34(32-29)24-11-6-5-7-12-24)38-27-15-9-14-26(19-27)37-3/h5-15,18-19,22H,4,16-17,20-21H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide?
N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide has a molecular weight of 511.62 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 83282617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).