N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide

C17H19F2N5O — CID 166262029

IUPACN-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2F)C1)c1cnn2c1NCC2
InChIInChI=1S/C17H19F2N5O/c18-12-1-2-15(14(19)7-12)23-5-3-11(10-23)8-21-17(25)13-9-22-24-6-4-20-16(13)24/h1-2,7,9,11,20H,3-6,8,10H2,(H,21,25)
InChIKeySUBNDVMEGOARHE-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.84
Rot. Bonds4

About N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide

N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 166262029) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID166262029
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC NameN-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2F)C1)c1cnn2c1NCC2
InChIInChI=1S/C17H19F2N5O/c18-12-1-2-15(14(19)7-12)23-5-3-11(10-23)8-21-17(25)13-9-22-24-6-4-20-16(13)24/h1-2,7,9,11,20H,3-6,8,10H2,(H,21,25)
InChIKeySUBNDVMEGOARHE-UHFFFAOYSA-N
XLogP1.84
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
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1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
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N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
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3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
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[1-[2-fluoro-4-(propan-2-ylamino)phenyl]pyrrolidin-3-yl]methylcarbamic acid
CID 21105637
4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide (CID 166262029) is N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide is O=C(NCC1CCN(c2ccc(F)cc2F)C1)c1cnn2c1NCC2.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is SUBNDVMEGOARHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c18-12-1-2-15(14(19)7-12)23-5-3-11(10-23)8-21-17(25)13-9-22-24-6-4-20-16(13)24/h1-2,7,9,11,20H,3-6,8,10H2,(H,21,25).
What are the key properties of N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 166262029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).