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

C14H16ClN5O2 — CID 32603960

IUPAC(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H16ClN5O2/c1-20-8-11(7-17-20)18-13(21)6-12(19-14(16)22)9-2-4-10(15)5-3-9/h2-5,7-8,12H,6H2,1H3,(H,18,21)(H3,16,19,22)/t12-/m1/s1
InChIKeyQKYASNYJRBMKLI-GFCCVEGCSA-N
MW321.77 g/mol
LogP1.81
Rot. Bonds5

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

(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 32603960) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID32603960
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H16ClN5O2/c1-20-8-11(7-17-20)18-13(21)6-12(19-14(16)22)9-2-4-10(15)5-3-9/h2-5,7-8,12H,6H2,1H3,(H,18,21)(H3,16,19,22)/t12-/m1/s1
InChIKeyQKYASNYJRBMKLI-GFCCVEGCSA-N
XLogP1.81
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.81
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
3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 4792198
(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610026
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
CID 42971295
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9441398
3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 4869879
methyl (3R)-3-(4-chlorophenyl)-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 38163674
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide
CID 29292177
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47284219
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide (CID 32603960) is (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide is Cn1cc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is QKYASNYJRBMKLI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-20-8-11(7-17-20)18-13(21)6-12(19-14(16)22)9-2-4-10(15)5-3-9/h2-5,7-8,12H,6H2,1H3,(H,18,21)(H3,16,19,22)/t12-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide?
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 321.77 g/mol, XLogP of 1.81, 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-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 32603960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).