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

C17H21N7O — CID 122516664

IUPAC5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)cn1
InChIInChI=1S/C17H21N7O/c1-23-11-13(9-18-23)21-17(25)14-10-19-24-8-7-15(22-16(14)24)20-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,20,22)(H,21,25)
InChIKeyYTUROCVYHWYSNE-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.46
Rot. Bonds4

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

5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122516664) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122516664
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)cn1
InChIInChI=1S/C17H21N7O/c1-23-11-13(9-18-23)21-17(25)14-10-19-24-8-7-15(22-16(14)24)20-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,20,22)(H,21,25)
InChIKeyYTUROCVYHWYSNE-UHFFFAOYSA-N
XLogP2.46
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.46
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-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122516664) is 5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)cn1.
What is the InChIKey of 5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YTUROCVYHWYSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-23-11-13(9-18-23)21-17(25)14-10-19-24-8-7-15(22-16(14)24)20-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,20,22)(H,21,25).
What are the key properties of 5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(cyclohexylamino)-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.46, 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-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122516664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).