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

C19H20F3N7O2 — CID 145153244

IUPAC5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(/N=C/C4CCCCC4O)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C19H20F3N7O2/c1-28-10-13(16(27-28)19(20,21)22)25-18(31)12-9-24-29-7-6-15(26-17(12)29)23-8-11-4-2-3-5-14(11)30/h6-11,14,30H,2-5H2,1H3,(H,25,31)/b23-8+
InChIKeyNEKBDDTYZLQPEV-LIMNOBDPSA-N
MW435.41 g/mol
LogP2.99
Rot. Bonds4

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

5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145153244) has the molecular formula C19H20F3N7O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145153244
Molecular FormulaC19H20F3N7O2
Molecular Weight435.41 g/mol
Exact Mass435.16
IUPAC Name5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(/N=C/C4CCCCC4O)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C19H20F3N7O2/c1-28-10-13(16(27-28)19(20,21)22)25-18(31)12-9-24-29-7-6-15(26-17(12)29)23-8-11-4-2-3-5-14(11)30/h6-11,14,30H,2-5H2,1H3,(H,25,31)/b23-8+
InChIKeyNEKBDDTYZLQPEV-LIMNOBDPSA-N
XLogP2.99
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145153244) is 5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(/N=C/C4CCCCC4O)nc23)c(C(F)(F)F)n1.
What is the InChIKey of 5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NEKBDDTYZLQPEV-LIMNOBDPSA-N. The full InChI is InChI=1S/C19H20F3N7O2/c1-28-10-13(16(27-28)19(20,21)22)25-18(31)12-9-24-29-7-6-15(26-17(12)29)23-8-11-4-2-3-5-14(11)30/h6-11,14,30H,2-5H2,1H3,(H,25,31)/b23-8+.
What are the key properties of 5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxycyclohexyl)methylideneamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145153244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).