1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea

C25H29ClN4O3 — CID 51069320

IUPAC1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea
SMILESCCNC(=O)N(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)CC1CC1
InChIInChI=1S/C25H29ClN4O3/c1-4-27-25(31)29(15-18-9-10-18)16-21-17(2)28-30(20-13-11-19(26)12-14-20)24(21)33-23-8-6-5-7-22(23)32-3/h5-8,11-14,18H,4,9-10,15-16H2,1-3H3,(H,27,31)
InChIKeyQCMOBFJIIWADLM-UHFFFAOYSA-N
MW468.99 g/mol
LogP5.58
Rot. Bonds9

About 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea

1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea (PubChem CID 51069320) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea
PubChem CID51069320
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea
SMILESCCNC(=O)N(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)CC1CC1
InChIInChI=1S/C25H29ClN4O3/c1-4-27-25(31)29(15-18-9-10-18)16-21-17(2)28-30(20-13-11-19(26)12-14-20)24(21)33-23-8-6-5-7-22(23)32-3/h5-8,11-14,18H,4,9-10,15-16H2,1-3H3,(H,27,31)
InChIKeyQCMOBFJIIWADLM-UHFFFAOYSA-N
XLogP5.58
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.99
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea with MolForge

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Related Compounds

N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(cyclopropylmethyl)benzamide
CID 51069552
1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-3-propan-2-yl-1-propylurea
CID 51069317
N-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98402711
4-chloro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98404561
1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 93136390
N-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 93135795
1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea
CID 51069588
N-benzyl-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069000
N-(cyclopropylmethyl)-2-fluoro-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]benzamide
CID 51068520
2-chloro-N-[(4-fluorophenyl)methyl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069020
1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-ethyl-1-propan-2-ylurea
CID 51069590
N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069012

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea?
The IUPAC name of 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea (CID 51069320) is 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea is CCNC(=O)N(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)CC1CC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea?
The InChIKey is QCMOBFJIIWADLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-4-27-25(31)29(15-18-9-10-18)16-21-17(2)28-30(20-13-11-19(26)12-14-20)24(21)33-23-8-6-5-7-22(23)32-3/h5-8,11-14,18H,4,9-10,15-16H2,1-3H3,(H,27,31).
What are the key properties of 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea?
1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea has a molecular weight of 468.99 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-ethylurea is sourced from PubChem (CID 51069320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).