5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane

C20H31F3N6 — CID 162723820

IUPAC5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane
SMILESCc1ccn2nccc2n1.FC(F)(F)C1CCCCC1.[H]/N=C(\N)N1CCCCC1
InChIInChI=1S/C7H11F3.C7H7N3.C6H13N3/c8-7(9,10)6-4-2-1-3-5-6;1-6-3-5-10-7(9-6)2-4-8-10;7-6(8)9-4-2-1-3-5-9/h6H,1-5H2;2-5H,1H3;1-5H2,(H3,7,8)
InChIKeyFEQAYHHUGUYRJA-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.53
Rot. Bonds

About 5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane

5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane (PubChem CID 162723820) has the molecular formula C20H31F3N6 and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane.

Molecular Properties

Compound Name5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane
PubChem CID162723820
Molecular FormulaC20H31F3N6
Molecular Weight412.50 g/mol
Exact Mass412.26
IUPAC Name5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane
SMILESCc1ccn2nccc2n1.FC(F)(F)C1CCCCC1.[H]/N=C(\N)N1CCCCC1
InChIInChI=1S/C7H11F3.C7H7N3.C6H13N3/c8-7(9,10)6-4-2-1-3-5-6;1-6-3-5-10-7(9-6)2-4-8-10;7-6(8)9-4-2-1-3-5-9/h6H,1-5H2;2-5H,1H3;1-5H2,(H3,7,8)
InChIKeyFEQAYHHUGUYRJA-UHFFFAOYSA-N
XLogP4.53
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 12366048
N-(cyclohexylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 37660927
N,N-dimethyl-1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-piperidinamine
CID 56902625
1-(5-Isopropylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
CID 70775261
N-(1-isopropyl-4-piperidyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-amine
CID 71454312
2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine
CID 72881735
N,N-dimethyl-1-[2-methyl-7-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 95815226
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271
N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 134863351
7-[4-(Cyclohexylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 53189606
N-(cyclohexylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227275
N-{[1-(4-methyl-1-piperazinyl)cyclohexyl]methyl}-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56899331

Frequently Asked Questions

What is the IUPAC name of 5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane?
The IUPAC name of 5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane (CID 162723820) is 5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane.
What is the SMILES notation for 5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane?
The canonical SMILES for 5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane is Cc1ccn2nccc2n1.FC(F)(F)C1CCCCC1.[H]/N=C(\N)N1CCCCC1.
What is the InChIKey of 5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane?
The InChIKey is FEQAYHHUGUYRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3.C7H7N3.C6H13N3/c8-7(9,10)6-4-2-1-3-5-6;1-6-3-5-10-7(9-6)2-4-8-10;7-6(8)9-4-2-1-3-5-9/h6H,1-5H2;2-5H,1H3;1-5H2,(H3,7,8).
What are the key properties of 5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane?
5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane has a molecular weight of 412.50 g/mol, XLogP of 4.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane is sourced from PubChem (CID 162723820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).