4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide

C19H18F3N7O2 — CID 165415136

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(C(F)(F)F)cn2)cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C19H18F3N7O2/c1-27-15(8-14(26-27)13-5-4-11(9-23-13)19(20,21)22)25-17(30)16-12(10-24-28(16)2)18(31)29-6-3-7-29/h4-5,8-10H,3,6-7H2,1-2H3,(H,25,30)
InChIKeyOBWGBXXESWUMQD-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.33
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide (PubChem CID 165415136) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide
PubChem CID165415136
Molecular FormulaC19H18F3N7O2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(C(F)(F)F)cn2)cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C19H18F3N7O2/c1-27-15(8-14(26-27)13-5-4-11(9-23-13)19(20,21)22)25-17(30)16-12(10-24-28(16)2)18(31)29-6-3-7-29/h4-5,8-10H,3,6-7H2,1-2H3,(H,25,30)
InChIKeyOBWGBXXESWUMQD-UHFFFAOYSA-N
XLogP2.33
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide (CID 165415136) is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(C(F)(F)F)cn2)cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide?
The InChIKey is OBWGBXXESWUMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2/c1-27-15(8-14(26-27)13-5-4-11(9-23-13)19(20,21)22)25-17(30)16-12(10-24-28(16)2)18(31)29-6-3-7-29/h4-5,8-10H,3,6-7H2,1-2H3,(H,25,30).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165415136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).