3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C19H28N6O — CID 91909451

IUPAC3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCCn1cnnc1-c1nn(C)c2c1CN(C(=O)CCC1CCCC1)CC2
InChIInChI=1S/C19H28N6O/c1-3-24-13-20-21-19(24)18-15-12-25(11-10-16(15)23(2)22-18)17(26)9-8-14-6-4-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyUWYYZHDHDCKVJD-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.55
Rot. Bonds5

About 3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 91909451) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
PubChem CID91909451
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCCn1cnnc1-c1nn(C)c2c1CN(C(=O)CCC1CCCC1)CC2
InChIInChI=1S/C19H28N6O/c1-3-24-13-20-21-19(24)18-15-12-25(11-10-16(15)23(2)22-18)17(26)9-8-14-6-4-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyUWYYZHDHDCKVJD-UHFFFAOYSA-N
XLogP2.55
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 91909451) is 3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CCn1cnnc1-c1nn(C)c2c1CN(C(=O)CCC1CCCC1)CC2.
What is the InChIKey of 3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The InChIKey is UWYYZHDHDCKVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-24-13-20-21-19(24)18-15-12-25(11-10-16(15)23(2)22-18)17(26)9-8-14-6-4-5-7-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 91909451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).