N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C16H20F3N5O2 — CID 124752387

IUPACN-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2n[nH]c3c2COCC3)n1
InChIInChI=1S/C16H20F3N5O2/c1-9(7-24-13(16(17,18)19)5-10(2)23-24)6-20-15(25)14-11-8-26-4-3-12(11)21-22-14/h5,9H,3-4,6-8H2,1-2H3,(H,20,25)(H,21,22)/t9-/m0/s1
InChIKeyJJMSIDDCRQIJHW-VIFPVBQESA-N
MW371.36 g/mol
LogP2.07
Rot. Bonds5

About N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 124752387) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID124752387
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC NameN-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2n[nH]c3c2COCC3)n1
InChIInChI=1S/C16H20F3N5O2/c1-9(7-24-13(16(17,18)19)5-10(2)23-24)6-20-15(25)14-11-8-26-4-3-12(11)21-22-14/h5,9H,3-4,6-8H2,1-2H3,(H,20,25)(H,21,22)/t9-/m0/s1
InChIKeyJJMSIDDCRQIJHW-VIFPVBQESA-N
XLogP2.07
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 124752387) is N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2n[nH]c3c2COCC3)n1.
What is the InChIKey of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is JJMSIDDCRQIJHW-VIFPVBQESA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-9(7-24-13(16(17,18)19)5-10(2)23-24)6-20-15(25)14-11-8-26-4-3-12(11)21-22-14/h5,9H,3-4,6-8H2,1-2H3,(H,20,25)(H,21,22)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 124752387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).