N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H25N9 — CID 24824678

IUPACN-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1nccc1Nc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12
InChIInChI=1S/C20H25N9/c1-3-28-18(6-8-22-28)26-19-9-17(14-5-4-7-21-10-14)25-20-16(12-24-29(19)20)15-11-23-27(2)13-15/h6,8-9,11-14,21,26H,3-5,7,10H2,1-2H3
InChIKeyRLJPBCQMVIJTBN-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.56
Rot. Bonds5

About N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24824678) has the molecular formula C20H25N9 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24824678
Molecular FormulaC20H25N9
Molecular Weight391.48 g/mol
Exact Mass391.22
IUPAC NameN-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1nccc1Nc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12
InChIInChI=1S/C20H25N9/c1-3-28-18(6-8-22-28)26-19-9-17(14-5-4-7-21-10-14)25-20-16(12-24-29(19)20)15-11-23-27(2)13-15/h6,8-9,11-14,21,26H,3-5,7,10H2,1-2H3
InChIKeyRLJPBCQMVIJTBN-UHFFFAOYSA-N
XLogP2.56
TPSA89.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 24824678) is N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CCn1nccc1Nc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RLJPBCQMVIJTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9/c1-3-28-18(6-8-22-28)26-19-9-17(14-5-4-7-21-10-14)25-20-16(12-24-29(19)20)15-11-23-27(2)13-15/h6,8-9,11-14,21,26H,3-5,7,10H2,1-2H3.
What are the key properties of N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 391.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24824678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).