N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide

C19H27N5O2 — CID 71883835

IUPACN-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1c(C)ccc(NC(=O)NC(C)c2c(C)nn(C)c2C)c1C
InChIInChI=1S/C19H27N5O2/c1-10-8-9-16(11(2)18(10)21-15(6)25)22-19(26)20-12(3)17-13(4)23-24(7)14(17)5/h8-9,12H,1-7H3,(H,21,25)(H2,20,22,26)
InChIKeySEWCCTIFOKPOGA-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.49
Rot. Bonds4

About N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide

N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide (PubChem CID 71883835) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide
PubChem CID71883835
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1c(C)ccc(NC(=O)NC(C)c2c(C)nn(C)c2C)c1C
InChIInChI=1S/C19H27N5O2/c1-10-8-9-16(11(2)18(10)21-15(6)25)22-19(26)20-12(3)17-13(4)23-24(7)14(17)5/h8-9,12H,1-7H3,(H,21,25)(H2,20,22,26)
InChIKeySEWCCTIFOKPOGA-UHFFFAOYSA-N
XLogP3.49
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide
CID 95198850
1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95198776
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95597498
2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide
CID 143018137
2-(diethylamino)-N-[2,6-dimethyl-3-(1-phenylethylcarbamoylamino)phenyl]acetamide
CID 91128420
1-[(2S)-2-phenylbutan-2-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95760938
1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95032727
1-[2-(3-methoxyphenoxy)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95032730
1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95733895
4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 60595616
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 96518570

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide (CID 71883835) is N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1c(C)ccc(NC(=O)NC(C)c2c(C)nn(C)c2C)c1C.
What is the InChIKey of N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide?
The InChIKey is SEWCCTIFOKPOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-10-8-9-16(11(2)18(10)21-15(6)25)22-19(26)20-12(3)17-13(4)23-24(7)14(17)5/h8-9,12H,1-7H3,(H,21,25)(H2,20,22,26).
What are the key properties of N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide?
N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide has a molecular weight of 357.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 71883835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).