N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide

C14H16F3N5O2 — CID 138023971

IUPACN-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
SMILESCN(Cc1cnc[nH]1)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C14H16F3N5O2/c1-21(5-9-4-18-8-19-9)12(23)6-22-11-2-3-24-7-10(11)13(20-22)14(15,16)17/h4,8H,2-3,5-7H2,1H3,(H,18,19)
InChIKeyKHJIYSLVQPERAR-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.36
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide

N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide (PubChem CID 138023971) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
PubChem CID138023971
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
SMILESCN(Cc1cnc[nH]1)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C14H16F3N5O2/c1-21(5-9-4-18-8-19-9)12(23)6-22-11-2-3-24-7-10(11)13(20-22)14(15,16)17/h4,8H,2-3,5-7H2,1H3,(H,18,19)
InChIKeyKHJIYSLVQPERAR-UHFFFAOYSA-N
XLogP1.36
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide (CID 138023971) is N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide is CN(Cc1cnc[nH]1)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
The InChIKey is KHJIYSLVQPERAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-21(5-9-4-18-8-19-9)12(23)6-22-11-2-3-24-7-10(11)13(20-22)14(15,16)17/h4,8H,2-3,5-7H2,1H3,(H,18,19).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide has a molecular weight of 343.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide is sourced from PubChem (CID 138023971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).