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

C18H20F3N7O — CID 122181636

IUPAC5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N7O/c1-27-10-13(15(26-27)18(19,20)21)24-17(29)12-9-22-28-8-7-14(25-16(12)28)23-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,23,25)(H,24,29)
InChIKeyKJRJNZMCKDISMS-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.48
Rot. Bonds4

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

5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122181636) has the molecular formula C18H20F3N7O and a molecular weight of 407.40 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122181636
Molecular FormulaC18H20F3N7O
Molecular Weight407.40 g/mol
Exact Mass407.17
IUPAC Name5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N7O/c1-27-10-13(15(26-27)18(19,20)21)24-17(29)12-9-22-28-8-7-14(25-16(12)28)23-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,23,25)(H,24,29)
InChIKeyKJRJNZMCKDISMS-UHFFFAOYSA-N
XLogP3.48
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122181636) is 5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)c(C(F)(F)F)n1.
What is the InChIKey of 5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KJRJNZMCKDISMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7O/c1-27-10-13(15(26-27)18(19,20)21)24-17(29)12-9-22-28-8-7-14(25-16(12)28)23-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,23,25)(H,24,29).
What are the key properties of 5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(cyclohexylamino)-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 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122181636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).