8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C24H25N7 — CID 165111073

IUPAC8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-n3cccn3)nc12
InChIInChI=1S/C24H25N7/c1-15(2)21-14-26-31-22(21)28-23(30-11-5-10-25-30)29-24(31)27-18-9-8-17-12-16-6-3-4-7-19(16)20(17)13-18/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,27,28,29)/t18-/m1/s1
InChIKeyZYMATLULEKMBOQ-GOSISDBHSA-N
MW411.51 g/mol
LogP4.41
Rot. Bonds4

About 8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 165111073) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID165111073
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Name8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-n3cccn3)nc12
InChIInChI=1S/C24H25N7/c1-15(2)21-14-26-31-22(21)28-23(30-11-5-10-25-30)29-24(31)27-18-9-8-17-12-16-6-3-4-7-19(16)20(17)13-18/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,27,28,29)/t18-/m1/s1
InChIKeyZYMATLULEKMBOQ-GOSISDBHSA-N
XLogP4.41
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 165111073) is 8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-n3cccn3)nc12.
What is the InChIKey of 8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is ZYMATLULEKMBOQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N7/c1-15(2)21-14-26-31-22(21)28-23(30-11-5-10-25-30)29-24(31)27-18-9-8-17-12-16-6-3-4-7-19(16)20(17)13-18/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,27,28,29)/t18-/m1/s1.
What are the key properties of 8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 411.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 165111073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).