5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide

C17H20N6O — CID 70774352

IUPAC5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cnn2cccnc12)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C17H20N6O/c24-17(14-11-20-22-15(14)12-5-2-1-3-6-12)19-9-13-10-21-23-8-4-7-18-16(13)23/h4,7-8,10-12H,1-3,5-6,9H2,(H,19,24)(H,20,22)
InChIKeyPNMDRTDJSSAEFV-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.43
Rot. Bonds4

About 5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide

5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 70774352) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID70774352
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cnn2cccnc12)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C17H20N6O/c24-17(14-11-20-22-15(14)12-5-2-1-3-6-12)19-9-13-10-21-23-8-4-7-18-16(13)23/h4,7-8,10-12H,1-3,5-6,9H2,(H,19,24)(H,20,22)
InChIKeyPNMDRTDJSSAEFV-UHFFFAOYSA-N
XLogP2.43
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide (CID 70774352) is 5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCc1cnn2cccnc12)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PNMDRTDJSSAEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c24-17(14-11-20-22-15(14)12-5-2-1-3-6-12)19-9-13-10-21-23-8-4-7-18-16(13)23/h4,7-8,10-12H,1-3,5-6,9H2,(H,19,24)(H,20,22).
What are the key properties of 5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70774352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).