(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide

C15H19N5O2 — CID 32610026

IUPAC(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCc1ccccc1[C@@H](CC(=O)Nc1cnn(C)c1)NC(N)=O
InChIInChI=1S/C15H19N5O2/c1-10-5-3-4-6-12(10)13(19-15(16)22)7-14(21)18-11-8-17-20(2)9-11/h3-6,8-9,13H,7H2,1-2H3,(H,18,21)(H3,16,19,22)/t13-/m1/s1
InChIKeyPQIRACIVARBVCK-CYBMUJFWSA-N
MW301.35 g/mol
LogP1.47
Rot. Bonds5

About (3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide

(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 32610026) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID32610026
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCc1ccccc1[C@@H](CC(=O)Nc1cnn(C)c1)NC(N)=O
InChIInChI=1S/C15H19N5O2/c1-10-5-3-4-6-12(10)13(19-15(16)22)7-14(21)18-11-8-17-20(2)9-11/h3-6,8-9,13H,7H2,1-2H3,(H,18,21)(H3,16,19,22)/t13-/m1/s1
InChIKeyPQIRACIVARBVCK-CYBMUJFWSA-N
XLogP1.47
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32604442
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610043
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32603960
N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 99697524
3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112832869
3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide
CID 87006829
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465
3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide
CID 119424459
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31846058

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide (CID 32610026) is (3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide is Cc1ccccc1[C@@H](CC(=O)Nc1cnn(C)c1)NC(N)=O.
What is the InChIKey of (3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is PQIRACIVARBVCK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-5-3-4-6-12(10)13(19-15(16)22)7-14(21)18-11-8-17-20(2)9-11/h3-6,8-9,13H,7H2,1-2H3,(H,18,21)(H3,16,19,22)/t13-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide?
(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 301.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 32610026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).