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

C17H17N5O2 — CID 38886002

IUPAC1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccnc(-n3cccn3)c2)cc1
InChIInChI=1S/C17H17N5O2/c1-24-15-5-3-14(4-6-15)21-17(23)19-12-13-7-9-18-16(11-13)22-10-2-8-20-22/h2-11H,12H2,1H3,(H2,19,21,23)
InChIKeyRIFDFCHWAHPQAK-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.60
Rot. Bonds5

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

1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea (PubChem CID 38886002) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
PubChem CID38886002
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccnc(-n3cccn3)c2)cc1
InChIInChI=1S/C17H17N5O2/c1-24-15-5-3-14(4-6-15)21-17(23)19-12-13-7-9-18-16(11-13)22-10-2-8-20-22/h2-11H,12H2,1H3,(H2,19,21,23)
InChIKeyRIFDFCHWAHPQAK-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-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55743443
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
1-(4-bromo-3-methylphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55696253
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111182113
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651507
4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 34113136
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
1-(2,3-difluorophenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 86856255
1-[3-(1,3-dithian-2-yl)phenyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55698921
4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120641782
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide
CID 55746890

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea (CID 38886002) is 1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea is COc1ccc(NC(=O)NCc2ccnc(-n3cccn3)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is RIFDFCHWAHPQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-15-5-3-14(4-6-15)21-17(23)19-12-13-7-9-18-16(11-13)22-10-2-8-20-22/h2-11H,12H2,1H3,(H2,19,21,23).
What are the key properties of 1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
1-(4-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-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 38886002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).