1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea

C19H21N5O — CID 75501790

IUPAC1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
SMILESCn1cc(CNC(=O)NCCc2ccccn2)c(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-24-14-16(18(23-24)15-7-3-2-4-8-15)13-22-19(25)21-12-10-17-9-5-6-11-20-17/h2-9,11,14H,10,12-13H2,1H3,(H2,21,22,25)
InChIKeyPPSIBWXTNSPAOG-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.52
Rot. Bonds6

About 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea

1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 75501790) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID75501790
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
SMILESCn1cc(CNC(=O)NCCc2ccccn2)c(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-24-14-16(18(23-24)15-7-3-2-4-8-15)13-22-19(25)21-12-10-17-9-5-6-11-20-17/h2-9,11,14H,10,12-13H2,1H3,(H2,21,22,25)
InChIKeyPPSIBWXTNSPAOG-UHFFFAOYSA-N
XLogP2.52
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methyl-3-phenylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 122009577
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea
CID 75519712
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-pyridin-2-ylethyl)urea
CID 60620267
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
(2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26353127
6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496820

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea (CID 75501790) is 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea is Cn1cc(CNC(=O)NCCc2ccccn2)c(-c2ccccc2)n1.
What is the InChIKey of 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is PPSIBWXTNSPAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24-14-16(18(23-24)15-7-3-2-4-8-15)13-22-19(25)21-12-10-17-9-5-6-11-20-17/h2-9,11,14H,10,12-13H2,1H3,(H2,21,22,25).
What are the key properties of 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea?
1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 335.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 75501790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).