(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium

C17H24N5O2+ — CID 8749978

IUPAC(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCNC(=O)NC(=O)C[NH+](C)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H23N5O2/c1-12-15(10-21(4)11-16(23)19-17(24)18-3)13(2)22(20-12)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H2,18,19,23,24)/p+1
InChIKeyCZOKYELEFFVKKT-UHFFFAOYSA-O
MW330.41 g/mol
LogP-0.04
Rot. Bonds5

About (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium

(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 8749978) has the molecular formula C17H24N5O2+ and a molecular weight of 330.41 g/mol. Its IUPAC name is (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID8749978
Molecular FormulaC17H24N5O2+
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCNC(=O)NC(=O)C[NH+](C)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H23N5O2/c1-12-15(10-21(4)11-16(23)19-17(24)18-3)13(2)22(20-12)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H2,18,19,23,24)/p+1
InChIKeyCZOKYELEFFVKKT-UHFFFAOYSA-O
XLogP-0.04
TPSA80.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium
CID 9436761
(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11932706
(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylazanium
CID 9436851
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium
CID 9436771
(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9436693
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium
CID 9206029
(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylazanium
CID 9436801
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9436864
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8538817
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (CID 8749978) is (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is CNC(=O)NC(=O)C[NH+](C)Cc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is CZOKYELEFFVKKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N5O2/c1-12-15(10-21(4)11-16(23)19-17(24)18-3)13(2)22(20-12)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H2,18,19,23,24)/p+1.
What are the key properties of (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 330.41 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8749978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).