1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea

C22H22N6O2 — CID 55836595

IUPAC1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-n2cccn2)cc1)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C22H22N6O2/c29-22(23-17-18-6-8-20(9-7-18)28-13-3-11-25-28)26-19-4-1-5-21(16-19)30-15-14-27-12-2-10-24-27/h1-13,16H,14-15,17H2,(H2,23,26,29)
InChIKeyNNMFCPRVKXHONP-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.47
Rot. Bonds8

About 1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea

1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 55836595) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
PubChem CID55836595
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-n2cccn2)cc1)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C22H22N6O2/c29-22(23-17-18-6-8-20(9-7-18)28-13-3-11-25-28)26-19-4-1-5-21(16-19)30-15-14-27-12-2-10-24-27/h1-13,16H,14-15,17H2,(H2,23,26,29)
InChIKeyNNMFCPRVKXHONP-UHFFFAOYSA-N
XLogP3.47
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55835952
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
CID 55766765
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55808706
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
1-(4-nitrophenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-carboxamide
CID 55855677
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46473158
N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
CID 86804269
N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 86967474
1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746582
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea (CID 55836595) is 1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea is O=C(NCc1ccc(-n2cccn2)cc1)Nc1cccc(OCCn2cccn2)c1.
What is the InChIKey of 1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is NNMFCPRVKXHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-22(23-17-18-6-8-20(9-7-18)28-13-3-11-25-28)26-19-4-1-5-21(16-19)30-15-14-27-12-2-10-24-27/h1-13,16H,14-15,17H2,(H2,23,26,29).
What are the key properties of 1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 402.46 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 55836595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).