1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea

C18H18ClN5O2 — CID 122275539

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1cccnc1-c1cnn(C)c1
InChIInChI=1S/C18H18ClN5O2/c1-24-11-13(10-22-24)17-12(4-3-7-20-17)9-21-18(25)23-15-8-14(19)5-6-16(15)26-2/h3-8,10-11H,9H2,1-2H3,(H2,21,23,25)
InChIKeyHQRDIZDIBKQNKS-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.47
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea (PubChem CID 122275539) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
PubChem CID122275539
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1cccnc1-c1cnn(C)c1
InChIInChI=1S/C18H18ClN5O2/c1-24-11-13(10-22-24)17-12(4-3-7-20-17)9-21-18(25)23-15-8-14(19)5-6-16(15)26-2/h3-8,10-11H,9H2,1-2H3,(H2,21,23,25)
InChIKeyHQRDIZDIBKQNKS-UHFFFAOYSA-N
XLogP3.47
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275266
2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275363
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 35276225
1-(4-butoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275516
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275518
1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 119105195
pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 121022836
3-(3,4-dichlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275297
3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275254

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea (CID 122275539) is 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea is COc1ccc(Cl)cc1NC(=O)NCc1cccnc1-c1cnn(C)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The InChIKey is HQRDIZDIBKQNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-24-11-13(10-22-24)17-12(4-3-7-20-17)9-21-18(25)23-15-8-14(19)5-6-16(15)26-2/h3-8,10-11H,9H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea has a molecular weight of 371.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 122275539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).