N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

C20H26N4O3 — CID 70781518

IUPACN-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCNC2)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C20H26N4O3/c25-20(8-7-15-12-16-13-21-9-10-24(16)23-15)22-18-5-1-2-6-19(18)27-14-17-4-3-11-26-17/h1-2,5-6,12,17,21H,3-4,7-11,13-14H2,(H,22,25)
InChIKeySKRANTLMDVZUHK-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (PubChem CID 70781518) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
PubChem CID70781518
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCNC2)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C20H26N4O3/c25-20(8-7-15-12-16-13-21-9-10-24(16)23-15)22-18-5-1-2-6-19(18)27-14-17-4-3-11-26-17/h1-2,5-6,12,17,21H,3-4,7-11,13-14H2,(H,22,25)
InChIKeySKRANTLMDVZUHK-UHFFFAOYSA-N
XLogP2.12
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131920274
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17170185
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
CID 119747593
N-[3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829542
N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide
CID 131895389
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The IUPAC name of N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (CID 70781518) is N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is O=C(CCc1cc2n(n1)CCNC2)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The InChIKey is SKRANTLMDVZUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-20(8-7-15-12-16-13-21-9-10-24(16)23-15)22-18-5-1-2-6-19(18)27-14-17-4-3-11-26-17/h1-2,5-6,12,17,21H,3-4,7-11,13-14H2,(H,22,25).
What are the key properties of N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethoxy)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 70781518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).