1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea

C20H23N5O2 — CID 70896888

IUPAC1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2N(C)C)c1
InChIInChI=1S/C20H23N5O2/c1-25(2)19-10-15(16-12-22-23-13-16)7-8-18(19)24-20(26)21-11-14-5-4-6-17(9-14)27-3/h4-10,12-13H,11H2,1-3H3,(H,22,23)(H2,21,24,26)
InChIKeyVPSDUOCIMKDJFS-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.47
Rot. Bonds6

About 1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea

1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 70896888) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID70896888
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2N(C)C)c1
InChIInChI=1S/C20H23N5O2/c1-25(2)19-10-15(16-12-22-23-13-16)7-8-18(19)24-20(26)21-11-14-5-4-6-17(9-14)27-3/h4-10,12-13H,11H2,1-3H3,(H,22,23)(H2,21,24,26)
InChIKeyVPSDUOCIMKDJFS-UHFFFAOYSA-N
XLogP3.47
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea (CID 70896888) is 1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2N(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is VPSDUOCIMKDJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-25(2)19-10-15(16-12-22-23-13-16)7-8-18(19)24-20(26)21-11-14-5-4-6-17(9-14)27-3/h4-10,12-13H,11H2,1-3H3,(H,22,23)(H2,21,24,26).
What are the key properties of 1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 365.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 70896888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).