N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

C20H25N5O2 — CID 72932454

IUPACN-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESO=C(CCc1cc2n(n1)CCN(Cc1ccc3[nH]ccc3c1)C2)NCCO
InChIInChI=1S/C20H25N5O2/c26-10-7-22-20(27)4-2-17-12-18-14-24(8-9-25(18)23-17)13-15-1-3-19-16(11-15)5-6-21-19/h1,3,5-6,11-12,21,26H,2,4,7-10,13-14H2,(H,22,27)
InChIKeyQYFJHZFKRBVWLM-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.42
Rot. Bonds7

About N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (PubChem CID 72932454) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
PubChem CID72932454
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESO=C(CCc1cc2n(n1)CCN(Cc1ccc3[nH]ccc3c1)C2)NCCO
InChIInChI=1S/C20H25N5O2/c26-10-7-22-20(27)4-2-17-12-18-14-24(8-9-25(18)23-17)13-15-1-3-19-16(11-15)5-6-21-19/h1,3,5-6,11-12,21,26H,2,4,7-10,13-14H2,(H,22,27)
InChIKeyQYFJHZFKRBVWLM-UHFFFAOYSA-N
XLogP1.42
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (CID 72932454) is N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is O=C(CCc1cc2n(n1)CCN(Cc1ccc3[nH]ccc3c1)C2)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The InChIKey is QYFJHZFKRBVWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-10-7-22-20(27)4-2-17-12-18-14-24(8-9-25(18)23-17)13-15-1-3-19-16(11-15)5-6-21-19/h1,3,5-6,11-12,21,26H,2,4,7-10,13-14H2,(H,22,27).
What are the key properties of N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is sourced from PubChem (CID 72932454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).