1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea

C22H26N4O3 — CID 51728018

IUPAC1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea
SMILESCOc1cc([C@@H](C)NC(=O)Nc2ccn(-c3ccccc3)n2)ccc1OC(C)C
InChIInChI=1S/C22H26N4O3/c1-15(2)29-19-11-10-17(14-20(19)28-4)16(3)23-22(27)24-21-12-13-26(25-21)18-8-6-5-7-9-18/h5-16H,1-4H3,(H2,23,24,25,27)/t16-/m1/s1
InChIKeyMEJRLSRLFJFQDU-MRXNPFEDSA-N
MW394.48 g/mol
LogP4.55
Rot. Bonds7

About 1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea

1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea (PubChem CID 51728018) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea
PubChem CID51728018
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea
SMILESCOc1cc([C@@H](C)NC(=O)Nc2ccn(-c3ccccc3)n2)ccc1OC(C)C
InChIInChI=1S/C22H26N4O3/c1-15(2)29-19-11-10-17(14-20(19)28-4)16(3)23-22(27)24-21-12-13-26(25-21)18-8-6-5-7-9-18/h5-16H,1-4H3,(H2,23,24,25,27)/t16-/m1/s1
InChIKeyMEJRLSRLFJFQDU-MRXNPFEDSA-N
XLogP4.55
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3,4-dimethoxyphenyl)-3-[(1-phenylpyrazol-3-yl)carbamoylamino]propanoate
CID 47032953
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55653823
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
(2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
CID 95156985
(2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
CID 95239242
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 94129017
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55595337
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55824439

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea (CID 51728018) is 1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea is COc1cc([C@@H](C)NC(=O)Nc2ccn(-c3ccccc3)n2)ccc1OC(C)C.
What is the InChIKey of 1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea?
The InChIKey is MEJRLSRLFJFQDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(2)29-19-11-10-17(14-20(19)28-4)16(3)23-22(27)24-21-12-13-26(25-21)18-8-6-5-7-9-18/h5-16H,1-4H3,(H2,23,24,25,27)/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea?
1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea has a molecular weight of 394.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 51728018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).