1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea

C21H25N5O — CID 51946427

IUPAC1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESC[C@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)N(C)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-17(25(2)20-10-4-3-5-11-20)15-22-21(27)24-19-9-6-8-18(14-19)16-26-13-7-12-23-26/h3-14,17H,15-16H2,1-2H3,(H2,22,24,27)/t17-/m1/s1
InChIKeyFOPPUQNDVSCXDK-QGZVFWFLSA-N
MW363.47 g/mol
LogP3.58
Rot. Bonds7

About 1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea

1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 51946427) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID51946427
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESC[C@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)N(C)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-17(25(2)20-10-4-3-5-11-20)15-22-21(27)24-19-9-6-8-18(14-19)16-26-13-7-12-23-26/h3-14,17H,15-16H2,1-2H3,(H2,22,24,27)/t17-/m1/s1
InChIKeyFOPPUQNDVSCXDK-QGZVFWFLSA-N
XLogP3.58
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 51954037
1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505012
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111120548
1-[(2S)-2-(N-methylanilino)propyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52501543
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 95309999
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide
CID 51946412
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (CID 51946427) is 1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is C[C@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)N(C)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is FOPPUQNDVSCXDK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O/c1-17(25(2)20-10-4-3-5-11-20)15-22-21(27)24-19-9-6-8-18(14-19)16-26-13-7-12-23-26/h3-14,17H,15-16H2,1-2H3,(H2,22,24,27)/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 363.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 51946427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).