1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea

C22H25N5O3 — CID 58964270

IUPAC1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea
SMILESCn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCC1CNCCO1
InChIInChI=1S/C22H25N5O3/c1-27-20(9-10-24-27)19-13-17(26-22(28)25-16-5-3-2-4-6-16)7-8-21(19)30-15-18-14-23-11-12-29-18/h2-10,13,18,23H,11-12,14-15H2,1H3,(H2,25,26,28)
InChIKeyRURYZCWYHGBLBA-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.10
Rot. Bonds6

About 1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea

1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea (PubChem CID 58964270) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea
PubChem CID58964270
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea
SMILESCn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCC1CNCCO1
InChIInChI=1S/C22H25N5O3/c1-27-20(9-10-24-27)19-13-17(26-22(28)25-16-5-3-2-4-6-16)7-8-21(19)30-15-18-14-23-11-12-29-18/h2-10,13,18,23H,11-12,14-15H2,1H3,(H2,25,26,28)
InChIKeyRURYZCWYHGBLBA-UHFFFAOYSA-N
XLogP3.10
TPSA89.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[(3R)-4-benzylmorpholin-3-yl]methoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(4-chlorophenyl)urea
CID 66928507
1-(4-fluorophenyl)-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 66927888
1-(4-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]urea
CID 66928082
1-(2,4-difluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]urea
CID 67189201
1-(4-chlorophenyl)-3-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 45486729
1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486672
1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea
CID 143303789
1-(2-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486654
1-[5-bromo-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956053
2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide
CID 66927967
1-(3,4-difluorophenyl)-3-[4-[3-(dimethylamino)propoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 23139509
1-(4-chlorophenyl)-3-[4-[2-(4-ethylmorpholin-4-ium-4-yl)propoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 69387795

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea?
The IUPAC name of 1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea (CID 58964270) is 1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea is Cn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCC1CNCCO1.
What is the InChIKey of 1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea?
The InChIKey is RURYZCWYHGBLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-27-20(9-10-24-27)19-13-17(26-22(28)25-16-5-3-2-4-6-16)7-8-21(19)30-15-18-14-23-11-12-29-18/h2-10,13,18,23H,11-12,14-15H2,1H3,(H2,25,26,28).
What are the key properties of 1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea?
1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea has a molecular weight of 407.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea is sourced from PubChem (CID 58964270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).