1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine

C20H33N3O2 — CID 97390480

IUPAC1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
SMILESc1c2c(nn1CC1CCOCC1)[C@@H](CNCC1CCCCC1)OCC2
InChIInChI=1S/C20H33N3O2/c1-2-4-16(5-3-1)12-21-13-19-20-18(8-11-25-19)15-23(22-20)14-17-6-9-24-10-7-17/h15-17,19,21H,1-14H2/t19-/m1/s1
InChIKeyPBPNWMYQNGNNAF-LJQANCHMSA-N
MW347.50 g/mol
LogP3.09
Rot. Bonds6

About 1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine

1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine (PubChem CID 97390480) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
PubChem CID97390480
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
SMILESc1c2c(nn1CC1CCOCC1)[C@@H](CNCC1CCCCC1)OCC2
InChIInChI=1S/C20H33N3O2/c1-2-4-16(5-3-1)12-21-13-19-20-18(8-11-25-19)15-23(22-20)14-17-6-9-24-10-7-17/h15-17,19,21H,1-14H2/t19-/m1/s1
InChIKeyPBPNWMYQNGNNAF-LJQANCHMSA-N
XLogP3.09
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine (CID 97390480) is 1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine is c1c2c(nn1CC1CCOCC1)[C@@H](CNCC1CCCCC1)OCC2.
What is the InChIKey of 1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
The InChIKey is PBPNWMYQNGNNAF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-2-4-16(5-3-1)12-21-13-19-20-18(8-11-25-19)15-23(22-20)14-17-6-9-24-10-7-17/h15-17,19,21H,1-14H2/t19-/m1/s1.
What are the key properties of 1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine has a molecular weight of 347.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine is sourced from PubChem (CID 97390480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).