(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H20BrN5O2 — CID 39681855

IUPAC(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C[C@@H](NC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrN5O2/c1-9-15(10(2)22(3)21-9)20-14(23)8-13(19-16(18)24)11-4-6-12(17)7-5-11/h4-7,13H,8H2,1-3H3,(H,20,23)(H3,18,19,24)/t13-/m1/s1
InChIKeyPMTLXOAIWMLUNI-CYBMUJFWSA-N
MW394.27 g/mol
LogP2.54
Rot. Bonds5

About (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 39681855) has the molecular formula C16H20BrN5O2 and a molecular weight of 394.27 g/mol. Its IUPAC name is (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID39681855
Molecular FormulaC16H20BrN5O2
Molecular Weight394.27 g/mol
Exact Mass393.08
IUPAC Name(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C[C@@H](NC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrN5O2/c1-9-15(10(2)22(3)21-9)20-14(23)8-13(19-16(18)24)11-4-6-12(17)7-5-11/h4-7,13H,8H2,1-3H3,(H,20,23)(H3,18,19,24)/t13-/m1/s1
InChIKeyPMTLXOAIWMLUNI-CYBMUJFWSA-N
XLogP2.54
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 51727191
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
CID 51724863
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 8600801
2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908844
3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 4792198
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(2S)-2-phenylbutyl]propanamide
CID 39678132
(4-bromophenyl)methyl-methyl-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8540039
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32603960
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79128373
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 39681855) is (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C[C@@H](NC(N)=O)c1ccc(Br)cc1.
What is the InChIKey of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is PMTLXOAIWMLUNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20BrN5O2/c1-9-15(10(2)22(3)21-9)20-14(23)8-13(19-16(18)24)11-4-6-12(17)7-5-11/h4-7,13H,8H2,1-3H3,(H,20,23)(H3,18,19,24)/t13-/m1/s1.
What are the key properties of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 394.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 39681855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).