N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

C16H24N6O2 — CID 70719671

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESCOCc1cc(CN(C)C(=O)CCc2cc3n(n2)CCNC3)[nH]n1
InChIInChI=1S/C16H24N6O2/c1-21(10-13-7-14(11-24-2)19-18-13)16(23)4-3-12-8-15-9-17-5-6-22(15)20-12/h7-8,17H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyBOHSSTGFHFXGDM-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.45
Rot. Bonds7

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (PubChem CID 70719671) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
PubChem CID70719671
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESCOCc1cc(CN(C)C(=O)CCc2cc3n(n2)CCNC3)[nH]n1
InChIInChI=1S/C16H24N6O2/c1-21(10-13-7-14(11-24-2)19-18-13)16(23)4-3-12-8-15-9-17-5-6-22(15)20-12/h7-8,17H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyBOHSSTGFHFXGDM-UHFFFAOYSA-N
XLogP0.45
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (CID 70719671) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is COCc1cc(CN(C)C(=O)CCc2cc3n(n2)CCNC3)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The InChIKey is BOHSSTGFHFXGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-21(10-13-7-14(11-24-2)19-18-13)16(23)4-3-12-8-15-9-17-5-6-22(15)20-12/h7-8,17H,3-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide has a molecular weight of 332.41 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 70719671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).