benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C20H22F2N4O4 — CID 156773130

IUPACbenzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESO=C(NC1(COC(F)F)CC1)c1cnn2c1CN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C20H22F2N4O4/c21-18(22)30-13-20(6-7-20)24-17(27)15-10-23-26-9-8-25(11-16(15)26)19(28)29-12-14-4-2-1-3-5-14/h1-5,10,18H,6-9,11-13H2,(H,24,27)
InChIKeyLZBWOEQXAZXZAW-UHFFFAOYSA-N
MW420.42 g/mol
LogP2.54
Rot. Bonds7

About benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 156773130) has the molecular formula C20H22F2N4O4 and a molecular weight of 420.42 g/mol. Its IUPAC name is benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID156773130
Molecular FormulaC20H22F2N4O4
Molecular Weight420.42 g/mol
Exact Mass420.16
IUPAC Namebenzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESO=C(NC1(COC(F)F)CC1)c1cnn2c1CN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C20H22F2N4O4/c21-18(22)30-13-20(6-7-20)24-17(27)15-10-23-26-9-8-25(11-16(15)26)19(28)29-12-14-4-2-1-3-5-14/h1-5,10,18H,6-9,11-13H2,(H,24,27)
InChIKeyLZBWOEQXAZXZAW-UHFFFAOYSA-N
XLogP2.54
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134788049
benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134788680
benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134789971
benzyl (3R)-3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 97929599
methyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]propanoate
CID 57963660
Methyl 2-(phenylmethoxycarbonylamino)-3-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]propanoate
CID 68993299
5-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 117616562
5-O-[[3,5-bis(trifluoromethyl)phenyl]methyl] 3-O-ethyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate
CID 117616685
benzyl 3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 117678405
benzyl 3-[2-(difluoromethoxy)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 153574401
[3,5-bis(trifluoromethyl)phenyl]methyl 3-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 157136381
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 161698193

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 156773130) is benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is O=C(NC1(COC(F)F)CC1)c1cnn2c1CN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is LZBWOEQXAZXZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4/c21-18(22)30-13-20(6-7-20)24-17(27)15-10-23-26-9-8-25(11-16(15)26)19(28)29-12-14-4-2-1-3-5-14/h1-5,10,18H,6-9,11-13H2,(H,24,27).
What are the key properties of benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 420.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 156773130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).