5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide

C10H14BrF2N5O2 — CID 164780268

IUPAC5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1c(Br)nn([C@@H]2CN[C@@H](COC(F)F)C2)c1N
InChIInChI=1S/C10H14BrF2N5O2/c11-7-6(9(15)19)8(14)18(17-7)5-1-4(16-2-5)3-20-10(12)13/h4-5,10,16H,1-3,14H2,(H2,15,19)/t4-,5+/m1/s1
InChIKeyDEAWFMCMKOKHGW-UHNVWZDZSA-N
MW354.16 g/mol
LogP0.47
Rot. Bonds5

About 5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide

5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 164780268) has the molecular formula C10H14BrF2N5O2 and a molecular weight of 354.16 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID164780268
Molecular FormulaC10H14BrF2N5O2
Molecular Weight354.16 g/mol
Exact Mass353.03
IUPAC Name5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1c(Br)nn([C@@H]2CN[C@@H](COC(F)F)C2)c1N
InChIInChI=1S/C10H14BrF2N5O2/c11-7-6(9(15)19)8(14)18(17-7)5-1-4(16-2-5)3-20-10(12)13/h4-5,10,16H,1-3,14H2,(H2,15,19)/t4-,5+/m1/s1
InChIKeyDEAWFMCMKOKHGW-UHNVWZDZSA-N
XLogP0.47
TPSA108.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-bromo-1-[(5R)-5-(difluoromethoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380871
5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide
CID 164034136
3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380608
3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380800
tert-butyl (2R,4S)-4-[3-bromo-4-carbamoyl-5-(2-methoxyethylamino)pyrazol-1-yl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 162380845
3-bromo-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380922
3-bromo-5-(3-morpholin-4-ylpropylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
CID 162381003
3-bromo-5-(3-morpholin-4-ylpropylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162381004
3-bromo-1-[(3S,5R)-5-(methoxymethyl)-1-(2-methylprop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162381120
3-bromo-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide;dihydrochloride
CID 162381127
3-bromo-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(2-morpholin-4-ylethylamino)pyrazole-4-carboxamide;hydrochloride
CID 162381170
3-bromo-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(2-morpholin-4-ylethylamino)pyrazole-4-carboxamide
CID 162381171

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 164780268) is 5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide is NC(=O)c1c(Br)nn([C@@H]2CN[C@@H](COC(F)F)C2)c1N.
What is the InChIKey of 5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is DEAWFMCMKOKHGW-UHNVWZDZSA-N. The full InChI is InChI=1S/C10H14BrF2N5O2/c11-7-6(9(15)19)8(14)18(17-7)5-1-4(16-2-5)3-20-10(12)13/h4-5,10,16H,1-3,14H2,(H2,15,19)/t4-,5+/m1/s1.
What are the key properties of 5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 354.16 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[(3S,5R)-5-(difluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 164780268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).