1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea

C17H17N5O2 — CID 38886018

IUPAC1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C17H17N5O2/c1-24-15-6-3-2-5-14(15)21-17(23)19-12-13-7-9-18-16(11-13)22-10-4-8-20-22/h2-11H,12H2,1H3,(H2,19,21,23)
InChIKeyPHLJVLWXVIKVOT-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.60
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea

1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea (PubChem CID 38886018) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
PubChem CID38886018
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C17H17N5O2/c1-24-15-6-3-2-5-14(15)21-17(23)19-12-13-7-9-18-16(11-13)22-10-4-8-20-22/h2-11H,12H2,1H3,(H2,19,21,23)
InChIKeyPHLJVLWXVIKVOT-UHFFFAOYSA-N
XLogP2.60
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
1-(2,3-difluorophenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 86856255
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55743443
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 51115206
1-(4-bromo-3-methylphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55696253
1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
CID 91625691
4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120641782
2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 102556013
(2S)-2-(dimethylamino)-2-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 95165130
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea (CID 38886018) is 1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea is COc1ccccc1NC(=O)NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is PHLJVLWXVIKVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-15-6-3-2-5-14(15)21-17(23)19-12-13-7-9-18-16(11-13)22-10-4-8-20-22/h2-11H,12H2,1H3,(H2,19,21,23).
What are the key properties of 1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 323.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 38886018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).