2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

C10H14F3N5O2 — CID 91793010

IUPAC2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)CNC(N)=O
InChIInChI=1S/C10H14F3N5O2/c1-6-4-7(10(11,12)13)17-18(6)3-2-15-8(19)5-16-9(14)20/h4H,2-3,5H2,1H3,(H,15,19)(H3,14,16,20)
InChIKeyVVXQZBZNRRLUHS-UHFFFAOYSA-N
MW293.25 g/mol
LogP-0.01
Rot. Bonds5

About 2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 91793010) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID91793010
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC Name2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)CNC(N)=O
InChIInChI=1S/C10H14F3N5O2/c1-6-4-7(10(11,12)13)17-18(6)3-2-15-8(19)5-16-9(14)20/h4H,2-3,5H2,1H3,(H,15,19)(H3,14,16,20)
InChIKeyVVXQZBZNRRLUHS-UHFFFAOYSA-N
XLogP-0.01
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 91793010) is 2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)CNC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is VVXQZBZNRRLUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2/c1-6-4-7(10(11,12)13)17-18(6)3-2-15-8(19)5-16-9(14)20/h4H,2-3,5H2,1H3,(H,15,19)(H3,14,16,20).
What are the key properties of 2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 293.25 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 91793010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).