1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one

C16H25N3O2 — CID 71819780

IUPAC1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
SMILESCOCc1nn(CC2CC2)c2c1CN(C(=O)C(C)C)CC2
InChIInChI=1S/C16H25N3O2/c1-11(2)16(20)18-7-6-15-13(9-18)14(10-21-3)17-19(15)8-12-4-5-12/h11-12H,4-10H2,1-3H3
InChIKeyAUEIVSICLWMQAU-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.98
Rot. Bonds5

About 1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one

1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one (PubChem CID 71819780) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
PubChem CID71819780
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
SMILESCOCc1nn(CC2CC2)c2c1CN(C(=O)C(C)C)CC2
InChIInChI=1S/C16H25N3O2/c1-11(2)16(20)18-7-6-15-13(9-18)14(10-21-3)17-19(15)8-12-4-5-12/h11-12H,4-10H2,1-3H3
InChIKeyAUEIVSICLWMQAU-UHFFFAOYSA-N
XLogP1.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one (CID 71819780) is 1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one is COCc1nn(CC2CC2)c2c1CN(C(=O)C(C)C)CC2.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one?
The InChIKey is AUEIVSICLWMQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)16(20)18-7-6-15-13(9-18)14(10-21-3)17-19(15)8-12-4-5-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one?
1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 71819780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).