2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide

C18H25N5O2 — CID 95981249

IUPAC2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide
SMILESC[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)Cn1cccn1
InChIInChI=1S/C18H25N5O2/c1-13(12-23-10-4-9-21-23)11-20-17(25)22-15-7-5-14(6-8-15)18(2,3)16(19)24/h4-10,13H,11-12H2,1-3H3,(H2,19,24)(H2,20,22,25)/t13-/m0/s1
InChIKeyPVPPDGUMBFCRAM-ZDUSSCGKSA-N
MW343.43 g/mol
LogP2.10
Rot. Bonds7

About 2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide

2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide (PubChem CID 95981249) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide
PubChem CID95981249
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide
SMILESC[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)Cn1cccn1
InChIInChI=1S/C18H25N5O2/c1-13(12-23-10-4-9-21-23)11-20-17(25)22-15-7-5-14(6-8-15)18(2,3)16(19)24/h4-10,13H,11-12H2,1-3H3,(H2,19,24)(H2,20,22,25)/t13-/m0/s1
InChIKeyPVPPDGUMBFCRAM-ZDUSSCGKSA-N
XLogP2.10
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
CID 95761803
1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
CID 51961680
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 49281031
1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea
CID 94437016
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
CID 80555855
methyl 3-(dimethylamino)-4-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoylamino]benzoate
CID 102562954
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 138047454
1-(4-methylphenyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111070545
(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
CID 119734157
1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide
CID 94811626
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 60562797

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide (CID 95981249) is 2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide is C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)Cn1cccn1.
What is the InChIKey of 2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide?
The InChIKey is PVPPDGUMBFCRAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(12-23-10-4-9-21-23)11-20-17(25)22-15-7-5-14(6-8-15)18(2,3)16(19)24/h4-10,13H,11-12H2,1-3H3,(H2,19,24)(H2,20,22,25)/t13-/m0/s1.
What are the key properties of 2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide?
2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 95981249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).