N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H23N7 — CID 53321363

IUPACN-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12
InChIInChI=1S/C17H23N7/c1-3-19-16-7-15(12-5-4-6-18-8-12)22-17-14(10-21-24(16)17)13-9-20-23(2)11-13/h7,9-12,18-19H,3-6,8H2,1-2H3
InChIKeyXZMAQRXTUAMTRE-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.03
Rot. Bonds4

About N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53321363) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53321363
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC NameN-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12
InChIInChI=1S/C17H23N7/c1-3-19-16-7-15(12-5-4-6-18-8-12)22-17-14(10-21-24(16)17)13-9-20-23(2)11-13/h7,9-12,18-19H,3-6,8H2,1-2H3
InChIKeyXZMAQRXTUAMTRE-UHFFFAOYSA-N
XLogP2.03
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 53321363) is N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CCNc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12.
What is the InChIKey of N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XZMAQRXTUAMTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-3-19-16-7-15(12-5-4-6-18-8-12)22-17-14(10-21-24(16)17)13-9-20-23(2)11-13/h7,9-12,18-19H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 325.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53321363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).