3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

C19H33N5O2 — CID 90652950

IUPAC3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESCCCN1CCC(N2CCn3nc(C(O)CC(=O)N(C)C)cc3C2)CC1
InChIInChI=1S/C19H33N5O2/c1-4-7-22-8-5-15(6-9-22)23-10-11-24-16(14-23)12-17(20-24)18(25)13-19(26)21(2)3/h12,15,18,25H,4-11,13-14H2,1-3H3
InChIKeyHQKDHKMJCPJAEB-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.08
Rot. Bonds6

About 3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (PubChem CID 90652950) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
PubChem CID90652950
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESCCCN1CCC(N2CCn3nc(C(O)CC(=O)N(C)C)cc3C2)CC1
InChIInChI=1S/C19H33N5O2/c1-4-7-22-8-5-15(6-9-22)23-10-11-24-16(14-23)12-17(20-24)18(25)13-19(26)21(2)3/h12,15,18,25H,4-11,13-14H2,1-3H3
InChIKeyHQKDHKMJCPJAEB-UHFFFAOYSA-N
XLogP1.08
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (CID 90652950) is 3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is CCCN1CCC(N2CCn3nc(C(O)CC(=O)N(C)C)cc3C2)CC1.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The InChIKey is HQKDHKMJCPJAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-4-7-22-8-5-15(6-9-22)23-10-11-24-16(14-23)12-17(20-24)18(25)13-19(26)21(2)3/h12,15,18,25H,4-11,13-14H2,1-3H3.
What are the key properties of 3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide has a molecular weight of 363.51 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-3-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is sourced from PubChem (CID 90652950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).