1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea

C19H27N5O — CID 97256526

IUPAC1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
SMILESC[C@@H]1CCCCN1CCNC(=O)Nc1cn(C)nc1-c1ccccc1
InChIInChI=1S/C19H27N5O/c1-15-8-6-7-12-24(15)13-11-20-19(25)21-17-14-23(2)22-18(17)16-9-4-3-5-10-16/h3-5,9-10,14-15H,6-8,11-13H2,1-2H3,(H2,20,21,25)/t15-/m1/s1
InChIKeyWMJCOZRWEWEONI-OAHLLOKOSA-N
MW341.46 g/mol
LogP3.08
Rot. Bonds5

About 1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea

1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea (PubChem CID 97256526) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
PubChem CID97256526
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
SMILESC[C@@H]1CCCCN1CCNC(=O)Nc1cn(C)nc1-c1ccccc1
InChIInChI=1S/C19H27N5O/c1-15-8-6-7-12-24(15)13-11-20-19(25)21-17-14-23(2)22-18(17)16-9-4-3-5-10-16/h3-5,9-10,14-15H,6-8,11-13H2,1-2H3,(H2,20,21,25)/t15-/m1/s1
InChIKeyWMJCOZRWEWEONI-OAHLLOKOSA-N
XLogP3.08
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea with MolForge

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017219
2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 119850923
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 47035903
1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017229
1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 71895021
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94166826
(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 98746052
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017230
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea?
The IUPAC name of 1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea (CID 97256526) is 1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea?
The canonical SMILES for 1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea is C[C@@H]1CCCCN1CCNC(=O)Nc1cn(C)nc1-c1ccccc1.
What is the InChIKey of 1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea?
The InChIKey is WMJCOZRWEWEONI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-8-6-7-12-24(15)13-11-20-19(25)21-17-14-23(2)22-18(17)16-9-4-3-5-10-16/h3-5,9-10,14-15H,6-8,11-13H2,1-2H3,(H2,20,21,25)/t15-/m1/s1.
What are the key properties of 1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea?
1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea has a molecular weight of 341.46 g/mol, XLogP of 3.08, 5 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)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea is sourced from PubChem (CID 97256526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).