2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C20H21N7O — CID 70787072

IUPAC2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCOc1ccccc1-n1cc(Cn2ccnc2-c2cc3n(n2)CCNC3)cn1
InChIInChI=1S/C20H21N7O/c1-28-19-5-3-2-4-18(19)27-14-15(11-23-27)13-25-8-7-22-20(25)17-10-16-12-21-6-9-26(16)24-17/h2-5,7-8,10-11,14,21H,6,9,12-13H2,1H3
InChIKeySWXBXDBGZFBGTQ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.09
Rot. Bonds5

About 2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 70787072) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID70787072
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCOc1ccccc1-n1cc(Cn2ccnc2-c2cc3n(n2)CCNC3)cn1
InChIInChI=1S/C20H21N7O/c1-28-19-5-3-2-4-18(19)27-14-15(11-23-27)13-25-8-7-22-20(25)17-10-16-12-21-6-9-26(16)24-17/h2-5,7-8,10-11,14,21H,6,9,12-13H2,1H3
InChIKeySWXBXDBGZFBGTQ-UHFFFAOYSA-N
XLogP2.09
TPSA74.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 70787072) is 2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is COc1ccccc1-n1cc(Cn2ccnc2-c2cc3n(n2)CCNC3)cn1.
What is the InChIKey of 2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is SWXBXDBGZFBGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-28-19-5-3-2-4-18(19)27-14-15(11-23-27)13-25-8-7-22-20(25)17-10-16-12-21-6-9-26(16)24-17/h2-5,7-8,10-11,14,21H,6,9,12-13H2,1H3.
What are the key properties of 2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 375.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 70787072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).