5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20F3N7O — CID 122516690

IUPAC5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2c(C3CCCCC3)nn3ccc(N)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N7O/c1-27-9-11(15(26-27)18(19,20)21)23-17(29)13-14(10-5-3-2-4-6-10)25-28-8-7-12(22)24-16(13)28/h7-10H,2-6H2,1H3,(H2,22,24)(H,23,29)
InChIKeyJVFVWDHQSPMUNC-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.36
Rot. Bonds3

About 5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122516690) has the molecular formula C18H20F3N7O and a molecular weight of 407.40 g/mol. Its IUPAC name is 5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122516690
Molecular FormulaC18H20F3N7O
Molecular Weight407.40 g/mol
Exact Mass407.17
IUPAC Name5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2c(C3CCCCC3)nn3ccc(N)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N7O/c1-27-9-11(15(26-27)18(19,20)21)23-17(29)13-14(10-5-3-2-4-6-10)25-28-8-7-12(22)24-16(13)28/h7-10H,2-6H2,1H3,(H2,22,24)(H,23,29)
InChIKeyJVFVWDHQSPMUNC-UHFFFAOYSA-N
XLogP3.36
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122516690) is 5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2c(C3CCCCC3)nn3ccc(N)nc23)c(C(F)(F)F)n1.
What is the InChIKey of 5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JVFVWDHQSPMUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7O/c1-27-9-11(15(26-27)18(19,20)21)23-17(29)13-14(10-5-3-2-4-6-10)25-28-8-7-12(22)24-16(13)28/h7-10H,2-6H2,1H3,(H2,22,24)(H,23,29).
What are the key properties of 5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclohexyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122516690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).